Basic information
- Standard SMILES
Cc1cc(Nc2cc(F)c(F)cc2C(=O)O)n(-c2cccnc2)n1- InChIKey
CTRQQZDTUJHGNR-UHFFFAOYSA-N- Molecular formula
- C16H12F2N4O2
- Average molar mass
- 330.29 g/mol
Names & identifiers
- Preferred name
- 4,5-difluoro-2-[[3-methyl-1-(3-pyridinyl)-1H-pyrazol-5-yl]amino]benzoic acid
- IUPAC
- 4,5-difluoro-2-[(5-methyl-2-pyridin-3-ylpyrazol-3-yl)amino]benzoic acid
Names & synonyms
SCHEMBL6351819CTRQQZDTUJHGNR-UHFFFAOYSA-N4,5-difluoro-2-[[3-methyl-1-(3-pyridinyl)-1H-pyrazol-5-yl]amino]benzoic acid
Database identifiers
- PubChem CID
- 22320333
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 456
Related reactions
2 records
Compound notes
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