6-Hydroxynicotine
Basic information
- CAS
3220-56-2- Standard SMILES
CN1CCCC1c1ccc(=O)[nH]c1- InChIKey
ATRCOGLZUCICIV-UHFFFAOYSA-N- Molecular formula
- C10H14N2O
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.11061307
Overview
6-hydroxynicotine is a monohydroxypyridine. It is functionally related to a nicotine.
Names & identifiers
- Preferred name
- 6-Hydroxynicotine
- IUPAC
- 5-(1-methylpyrrolidin-2-yl)-1H-pyridin-2-one
Names & synonyms
6-hydroxynicotine6-hydroxy-nicotineCHEBI:24729RefChem:1048385-(1-methylpyrrolidin-2-yl)pyridin-2(1h)-one5-(1-methylpyrrolidin-2-yl)pyridin-2-ol2055-13-23220-56-25-(1-methylpyrrolidin-2-yl)-1H-pyridin-2-oneCHEMBL72010MLS002693637Hydroxynicotin
Show more names
NCIOpen2_0005255-[(2S)-1-methylpyrrolidin-2-yl]-1,2-dihydropyridin-2-oneSCHEMBL454514SCHEMBL9414151SCHEMBL30363349DTXSID80290447HMS3086G07NSC68657
Database identifiers
- CAS
3220-56-2- PubChem CID
- 249885
- DTXSID
DTXSID80290447- ChEMBL
CHEMBL72010- ChEBI
CHEBI:24729- Nikkaji
- J1.111.338I
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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