Basic information
- Standard SMILES
Cc1ccc(-c2ccnc(C)c2)c(C(=O)O)c1- InChIKey
JWWFCNNWLDXWQH-UHFFFAOYSA-N- Molecular formula
- C14H13NO2
- Average molar mass
- 227.26 g/mol
Names & identifiers
- Preferred name
- 5-Methyl-2-(2-methylpyridin-4-yl)benzoic acid
- IUPAC
- 5-methyl-2-(2-methyl-4-pyridinyl)benzoic acid
Names & synonyms
SCHEMBL16277335JWWFCNNWLDXWQH-UHFFFAOYSA-NDB-1077005-Methyl-2-(2-methylpyridin-4-yl)benzoic acid1639803-48-7
Database identifiers
- PubChem CID
- 116170039
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Related reactions
3 records
Compound notes
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