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Basic information
- Standard SMILES
N#Cc1ccc(NC(=O)CCl)nc1- InChIKey
KGHYTOVPVFTVNF-UHFFFAOYSA-N- Molecular formula
- C8H6ClN3O
- Average molar mass
- 195.6 g/mol
- Monoisotopic mass
- 195.0199395
Names & identifiers
- Preferred name
- 2-chloro-N-(5-cyano-2-pyridinyl)acetamide
- IUPAC
- 2-chloro-N-(5-cyano-2-pyridinyl)acetamide
Names & synonyms
2-chloro-N-(5-cyanopyridin-2-yl)acetamide2-chloro-N-(5-cyano-2-pyridinyl)acetamide875315-36-9CHEMBL466836SCHEMBL1428781KGHYTOVPVFTVNF-UHFFFAOYSA-NAKOS005266326DB-3032902-Chloro-N-(5-cyano-pyridin-2-yl)-acetamideAN-584/43465570
Database identifiers
- PubChem CID
- 44574293
- ChEMBL
CHEMBL466836
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 235
Related reactions
4 records
Compound notes
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