Basic information
- CAS
1261927-26-7- Standard SMILES
Cc1c(F)cccc1-c1cc(C(=O)O)ccn1- InChIKey
LXKLTWVARMCQNV-UHFFFAOYSA-N- Molecular formula
- C13H10FNO2
- Average molar mass
- 231.22 g/mol
- Monoisotopic mass
- 231.06955672
Names & identifiers
- Preferred name
- 2-(3-Fluoro-2-methylphenyl)isonicotinic acid
- IUPAC
- 2-(3-fluoro-2-methylphenyl)pyridine-4-carboxylic acid
Names & synonyms
1261927-26-72-(3-fluoro-2-methylphenyl)pyridine-4-carboxylic acid2-(3-FLUORO-2-METHYLPHENYL)ISONICOTINIC ACIDDTXSID40687172MFCD183170032-(3-Fluoro-2-methylphenyl)isonicotinic acid, 95%2-(3-fluoro-2-methyl-phenyl)pyridine-4-carboxylic acid
Database identifiers
- CAS
1261927-26-7- PubChem CID
- 53222829
- DTXSID
DTXSID40687172
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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