2-Pentylpyridine
PubChem CID: 16800
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| Compound Synonyms | 2-PENTYLPYRIDINE, 2294-76-0, 2-Amylpyridine, Pyridine, 2-pentyl-, 2-n-Pentylpyridine, 2-n-Amylpyridine, 2-Pentyl-Pyridine, NSC 4693, EINECS 218-937-0, UNII-9N74L1UD11, 9N74L1UD11, NSC-4693, 2-PENTYLPYRIDINE [FHFI], DTXSID9062308, FEMA NO. 3383, Pyridine, pentyl-, 1-(2-PYRIDYL)PENTANE, 2-Amyl pyridine, NSC4693, MFCD00051828, SCHEMBL300432, DTXCID4036778, FEMA 3383, 2-Pentylpyridine, >=97%, FG, CHEBI:188979, BBL028033, STK801859, AKOS005622636, CS-W018168, DS-4675, SB52363, DB-021475, A2278, NS00021881, D70816, Q27272774, 218-937-0 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 12.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Pyridine alkaloids |
| Deep Smiles | CCCCCcccccn6 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Pyridines and derivatives |
| Description | Maillard production formed by thermal interaction of <ht>KCX33-O</ht> and aminoacids. A major contributor to the unpalatable taste of soy flour and protein isolates. The major odour active basic compound in roast lamb fatand is) also present in aroma of grilled/fried chicken, pork and beef, roasted sesame seeds, roasted peanuts roasted filbert, ambrette seed oil, bell pepper and coriander oil. Flavouring ingredient. 2-Pentylpyridine is found in many foods, some of which are animal foods, red bell pepper, pepper (c. annuum), and yellow bell pepper. |
| Scaffold Graph Node Level | C1CCNCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 90.9 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P22309 |
| Iupac Name | 2-pentylpyridine |
| Class | Pyridines and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.9 |
| Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H15N |
| Scaffold Graph Node Bond Level | c1ccncc1 |
| Inchi Key | HSDXVAOHEOSTFZ-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Synonyms | 2-Amyl pyridine, 2-amylpyridine, 2-n-Amylpyridine, 2-n-Pentylpyridine, 2-Pentyl-pyridine, FEMA 3383, Pyridine, 2-pentyl-, 2-Amylpyridine, 2-N-Amylpyridine, 2-N-Pentylpyridine, 12-O-Methylcoumestrol, 3-Hydroxy-9-methoxycoumestan, 4'-Methoxycoumestrol, 4'-O-Methylcoumestrol, Methyl N-methylnipecotate, 2-pentylpyridine |
| Esol Class | Soluble |
| Functional Groups | cnc |
| Compound Name | 2-Pentylpyridine |
| Kingdom | Organic compounds |
| Exact Mass | 149.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 149.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 149.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H15N/c1-2-3-4-7-10-8-5-6-9-11-10/h5-6,8-9H,2-4,7H2,1H3 |
| Smiles | CCCCCC1=CC=CC=N1 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Pyridines and derivatives |
| Np Classifier Superclass | Nicotinic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Chrysopogon Zizanioides (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9699005 - 3. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all