3-(Pyrrolidin-2-yl)pyridine
PubChem CID: 412
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| Compound Synonyms | 3-(pyrrolidin-2-yl)pyridine, 5746-86-1, nornicotine, 3-(2-Pyrrolidinyl)pyridine, (R,S)-Nornicotine, 3-pyrrolidin-2-ylpyridine, (+/-)-Nornicotine, 3-pyrrolidin-2-yl-pyridine, (+-)-Nornicotine, DL-NORNICOTINE, (+-)-1'-Demethylnicotine, MFCD00016913, 2-(3-Pyridyl)pyrrolidine, 3-(2-Pyrrolidyl)pyridine, (+-)-3-(2-Pyrrolidinyl)pyridine, CHEMBL1132, ( inverted exclamation markA)-Nornicotine, (S)-3-Pyrrolidin-2-yl-pyridine, 13450-58-3, 3-[(2RS)-Pyrrolidin-2-yl]pyridine ((RS)-Nornicotine), SMR000449277, (R,S)-Nornicotine (1.0 mg/mL in Methanol), (S)-2-(3-Pyridyl)pyrrolidine, 2-(Pyridin-3-yl)pyrrolidine, dl-Norcitine, MFCD09257346, (RS)-nornicotine, Nicotine, 1'-demethyl-, (+-)-, DL-2-(3-PYRIDYL)PYRROLIDINE, Nornicotine, 97%, .beta.-dl-Nornicotine, Pyridine, 3-(2-pyrrolidinyl)-, (+-)-, (.+/-.)-Nornicotine, MLS000758240, MLS001424032, (+-)-1'-demethyl-Nicotine, SCHEMBL158145, 3-(pyrolidin-2-yl)-pyridine, SCHEMBL13090363, (.+/-.)-1'-Demethylnicotine, DTXSID50862034, (R)-3-(2-Pyrrolidinyl)pyridine, (R)-3-Pyrrolidin-2-yl-pyridine, 3-Pyrrolidin-2-ylpyridine, 95%, GLXC-19132, HMS2051O11, HMS2232N03, HMS3372K03, HMS3393O11, 2-(3-PYRIDINYL)PYRROLIDINE, AR1067, BDBM50023328, STL139255, (+/-)-3-(pyrrolidin-2-yl)pyridine, AKOS001428655, AKOS016050380, AB01223, CCG-100790, CS-W002112, FN26467, GF-0112, NC00040, SB37344, SB37747, NCGC00163364-01, Nicotine, 1'-demethyl-, (.+/-.)-, 1ST14014, AC-10074, SY023448, SY245637, DB-021745, NS00098483, EN300-23749, (+/-)-Nornicotine, >=98% (TLC), liquid, C06524, P67210, Pyridine, 3-(2-pyrrolidinyl)-, (.+/-.)-, (S)-Nornicotine, (s)-(2-[3-Pyridyl]pyrrolidine), Q907939, 2-[3-Pyridyl]pyrrolidine, (+/-)-1'-Demethylnicotine, BRD-A24543851-001-05-7, Z164706372, (+/-)-Nornicotine-d4, 100 mug/mL in methanol, ampule of 1 mL, certified reference material, 637-353-0 |
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| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 24.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(C2CCCC2)CC1 |
| Np Classifier Class | Pyridine alkaloids, Pyrrolidine alkaloids |
| Deep Smiles | CCNCC5)ccccnc6 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Pyridines and derivatives |
| Description | An alkaloid extracted from tobacco and related to nicotine but having a lower toxicity: used as an agricultural and horticultural insecticide. [HMDB] |
| Scaffold Graph Node Level | C1CNCC(C2CCCN2)C1 |
| Classyfire Subclass | Pyrrolidinylpyridines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 125.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-pyrrolidin-2-ylpyridine |
| Class | Pyridines and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.2 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Pyrrolidinylpyridines |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H12N2 |
| Scaffold Graph Node Bond Level | c1cncc(C2CCCN2)c1 |
| Inchi Key | MYKUKUCHPMASKF-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | (+-)-1'-demethyl-Nicotine, (+-)-1'-Demethylnicotine, (+-)-3-(2-Pyrrolidinyl)pyridine, (+-)-Nornicotine, (R,S)-Nornicotine, (R)-3-(Pyrrolidin-2-yl)pyridine, (S)-2-(3-Pyridyl)pyrrolidine, 2-(3-Pyridyl)pyrrolidine, 3-(2-Pyrrolidinyl)pyridine, dl-Norcitine, l-Nor-nicotine, Nornicotin, Nornicotine, S-(-)-Nornicotine, (+-)-1'-Demethyl-nicotine, DL-Norcitine, L-Nor-nicotine, Nornicotine tartrate, (S)-(R-(r*,r*))-isomer, Nornicotine, (R)-isomer, Nornicotine, (S)-isomer, (+)-nornicotine, nor-nicotine, nornicotine |
| Substituent Name | Pyrrolidinylpyridine, Aralkylamine, Heteroaromatic compound, Pyrrolidine, Azacycle, Secondary amine, Secondary aliphatic amine, Hydrocarbon derivative, Organonitrogen compound, Amine, Aromatic heteromonocyclic compound |
| Esol Class | Very soluble |
| Functional Groups | CNC, cnc |
| Compound Name | 3-(Pyrrolidin-2-yl)pyridine |
| Kingdom | Organic compounds |
| Exact Mass | 148.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 148.1 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 148.2 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2 |
| Smiles | C1CC(NC1)C2=CN=CC=C2 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Pyrrolidinylpyridines |
| Np Classifier Superclass | Nicotinic acid alkaloids, Ornithine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Cestrum Diurnum (Plant) Rel Props:Reference:ISBN:9788172360481 - 2. Outgoing r'ship
FOUND_INto/from Cestrum Nocturnum (Plant) Rel Props:Reference:ISBN:9788172360481 - 3. Outgoing r'ship
FOUND_INto/from Duboisia Myoporoides (Plant) Rel Props:Reference:ISBN:9788172362300 - 4. Outgoing r'ship
FOUND_INto/from Nicotiana Rustica (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 5. Outgoing r'ship
FOUND_INto/from Nicotiana Tabacum (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279