Basic information
- Standard SMILES
N#Cc1cccc(C=Cc2cc(Cl)cnc2N)c1- InChIKey
ZBIYUEDVTLSEJU-UHFFFAOYSA-N- Molecular formula
- C14H10ClN3
- Average molar mass
- 255.7 g/mol
- Monoisotopic mass
- 255.056325
Names & identifiers
- Preferred name
- 3-[2-(2-Amino-5-chloro-3-pyridinyl)ethenyl]benzonitrile
- IUPAC
- 3-[2-(2-amino-5-chloro-3-pyridinyl)ethenyl]benzonitrile
Names & synonyms
SCHEMBL6433386
Database identifiers
- PubChem CID
- 69779735
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 346
Related reactions
1 records
Compound notes
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