3-Pentylpyridine
PubChem CID: 238307
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| Compound Synonyms | 3-pentylpyridine, 1802-20-6, Pyridine, 3-pentyl-, Pyridine, 3-pentyl, 1-(3-Pyridyl)pentane, NSC-42633, 2XM63Y2756, MLS000737065, DTXSID30285686, NSC 42633, 3-pentyl pyridine, NSC42633, MFCD23703132, Pyridine,3-pentyl-, 3-PENTYL-PYRIDINE, SCHEMBL135032, CHEMBL1423619, UNII-2XM63Y2756, DTXCID50236837, HMS2746P12, AKOS016011816, DS-6984, SMR000394020, CS-0152311, NS00126400, O11045 |
|---|---|
| Topological Polar Surface Area | 12.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Description | 3-Pentylpyridine is a minor constituent of roast lamb fat. It is found in tobacco smoke condensate, sweet orange and animal foods. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 90.9 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-pentylpyridine |
| Nih Violation | False |
| Class | Pyridines and derivatives |
| Xlogp | 3.0 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Molecular Formula | C10H15N |
| Inchi Key | WPFPTAWUHHGUDQ-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | Pyridine, 3-pentyl |
| Compound Name | 3-Pentylpyridine |
| Kingdom | Organic compounds |
| Exact Mass | 149.12 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 149.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 149.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Inchi | InChI=1S/C10H15N/c1-2-3-4-6-10-7-5-8-11-9-10/h5,7-9H,2-4,6H2,1H3 |
| Smiles | CCCCCC1=CN=CC=C1 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Pyridines and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all