Basic information
- Standard SMILES
CCc1cnc(C)c(C(=O)O)c1- InChIKey
CZBCQYYGNHJFTH-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
Names & identifiers
- Preferred name
- 5-Ethyl-2-methyl-nicotinic acid
- IUPAC
- 5-ethyl-2-methylpyridine-3-carboxylic acid
Names & synonyms
5-Ethyl-2-methyl-nicotinic acid22701-40-25-Ethyl-2-methylnicotinic acid5-ethyl-2-methylpyridine-3-carboxylic acidMFCD18259664SCHEMBL9370371CZBCQYYGNHJFTH-UHFFFAOYSA-NAS-5911CS-0323951F317325
Database identifiers
- PubChem CID
- 15077478
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 170
Related reactions
1 records
Compound notes
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