(1-Methylpyridin-1-ium-2-yl)methanol
Basic information
- CAS
42330-62-1- Standard SMILES
C[n+]1ccccc1CO- InChIKey
BPDPHODIAMIMSN-UHFFFAOYSA-N- Molecular formula
- C7H10NO+
- Average molar mass
- 124.16 g/mol
- Monoisotopic mass
- 124.07623894
Names & identifiers
- Preferred name
- (1-Methylpyridin-1-ium-2-yl)methanol
- IUPAC
- (1-methylpyridin-1-ium-2-yl)methanol
Names & synonyms
(1-methylpyridin-1-ium-2-yl)methanol42330-62-12-(HYDROXYMETHYL)-1-METHYLPYRIDIN-1-IUMSCHEMBL9481454SCHEMBL10257334DTXSID00390791
Database identifiers
- CAS
42330-62-1- PubChem CID
- 3263012
- DTXSID
DTXSID00390791- Nikkaji
- J338.807G
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 1
- Complexity
- 85
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Compound notes
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