Basic information
- Standard SMILES
Cc1ccc(-c2cc(-n3nnnc3C(C)C)cc(C(=O)O)c2F)nc1- InChIKey
PMRQKKPHQBQHPF-UHFFFAOYSA-N- Molecular formula
- C17H16FN5O2
- Average molar mass
- 341.34 g/mol
- Monoisotopic mass
- 341.12880293
Names & identifiers
- Preferred name
- 2-Fluoro-5-(5-isopropyl-tetrazol-1-yl)-3-(5-methyl-pyridin-2-yl)-benzoic acid
- IUPAC
- 2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid
Names & synonyms
SCHEMBL358747PMRQKKPHQBQHPF-UHFFFAOYSA-N2-Fluoro-5-(5-isopropyl-tetrazol-1-yl)-3-(5-methyl-pyridin-2-yl)-benzoic acid
Database identifiers
- PubChem CID
- 57749793
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 480
Related reactions
3 records
Compound notes
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