Basic information
- Standard SMILES
Cc1ccc(-c2cnccn2)c(C(=O)O)c1- InChIKey
QRGPXIQNRDVPBO-UHFFFAOYSA-N- Molecular formula
- C12H10N2O2
- Average molar mass
- 214.22 g/mol
Names & identifiers
- Preferred name
- 5-Methyl-2-(2-pyrazinyl)benzoic acid
- IUPAC
- 5-methyl-2-pyrazin-2-ylbenzoic acid
Names & synonyms
SCHEMBL16277698QRGPXIQNRDVPBO-UHFFFAOYSA-NAKOS0196811235-Methyl-2-(2-pyrazinyl)benzoic acid5-Methyl-2-(pyrazin-2-yl)benzoic acidDB-1554651506156-08-6
Database identifiers
- PubChem CID
- 81111608
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
Related reactions
10 records
Linked notes
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