3-(2-Methylphenyl)-4-pyridinecarboxylic acid methyl ester
Basic information
- CAS
355008-55-8- Standard SMILES
COC(=O)c1ccncc1-c1ccccc1C- InChIKey
YCEXHYXJCGNDGL-UHFFFAOYSA-N- Molecular formula
- C14H13NO2
- Average molar mass
- 227.26 g/mol
Names & identifiers
- Preferred name
- 3-(2-Methylphenyl)-4-pyridinecarboxylic acid methyl ester
- IUPAC
- methyl 3-(2-methylphenyl)pyridine-4-carboxylate
- English name
- 3-(2-Methylphenyl)-4-pyridinecarboxylicacidmethylester
- Molecular formula
- C14H13NO2
- Molecular weight
- 0
Names & synonyms
355008-55-83-(2-methylphenyl)-4-pyridinecarboxylic acid methyl esterSCHEMBL21056662DB-261622Methyl 3-(2-methylphenyl)-4-pyridinecarboxylate3-(2-methylphenyl) isonicotinic acid, methyl ester
Database identifiers
- CAS
355008-55-8- Nikkaji
- J2.020.468K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…