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Basic information
- Standard SMILES
Cn1cnc(-c2ccc(Cl)nc2)n1- InChIKey
KBWYWVDZRLWYCI-UHFFFAOYSA-N- Molecular formula
- C8H7ClN4
- Average molar mass
- 194.62 g/mol
Names & identifiers
- Preferred name
- 2-chloro-5-(1-methyl-1H-1,2,4-triazol-3-yl)pyridine
- IUPAC
- 2-chloro-5-(1-methyl-1,2,4-triazol-3-yl)pyridine
Names & synonyms
2-chloro-5-(1-methyl-1H-1,2,4-triazol-3-yl)pyridineSCHEMBL2276312KBWYWVDZRLWYCI-UHFFFAOYSA-NDB-1495941184174-80-8
Database identifiers
- PubChem CID
- 58371981
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
Related reactions
2 records
Compound notes
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