Basic information
- Standard SMILES
Cn1cc(-c2cnc(Cl)c(C#N)c2)cn1- InChIKey
CNBGRHVUMBWFJF-UHFFFAOYSA-N- Molecular formula
- C10H7ClN4
- Average molar mass
- 218.64 g/mol
- Monoisotopic mass
- 218.0359239
Names & identifiers
- Preferred name
- 2-chloro-5-(1-methyl-1H-pyrazol-4-yl)nicotinonitrile
- IUPAC
- 2-chloro-5-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile
Names & synonyms
2-chloro-5-(1-methyl-1H-pyrazol-4-yl)nicotinonitrileSCHEMBL2697258CNBGRHVUMBWFJF-UHFFFAOYSA-NDB-1495951173699-68-7
Database identifiers
- PubChem CID
- 58015482
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 274
Related reactions
2 records
Compound notes
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