Basic information
- Standard SMILES
CCCCc1cc(C(=O)O)cc(=O)[nH]1- InChIKey
MTKGDBBIDNQTLD-UHFFFAOYSA-N- Molecular formula
- C10H13NO3
- Average molar mass
- 195.21 g/mol
- Monoisotopic mass
- 195.08954328
Names & identifiers
- Preferred name
- 6-Butyl-2-oxo-1,2-dihydro-isonicotinic acid
- IUPAC
- 2-butyl-6-oxo-1H-pyridine-4-carboxylic acid
Names & synonyms
SCHEMBL3676992MTKGDBBIDNQTLD-UHFFFAOYSA-N6-butyl-2-oxo-1,2-dihydro-isonicotinic acid
Database identifiers
- PubChem CID
- 54090342
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 315
Related reactions
8 records
Compound notes
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