Basic information
- Standard SMILES
Cc1cc(C)nc(Nc2cc(Cl)ncc2C#N)c1- InChIKey
NTFVGCQUEAXNBG-UHFFFAOYSA-N- Molecular formula
- C13H11ClN4
- Average molar mass
- 258.7 g/mol
Names & identifiers
- Preferred name
- 6-Chloro-4-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinecarbonitrile
- IUPAC
- 6-chloro-4-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-3-carbonitrile
Names & synonyms
SCHEMBL14842033NTFVGCQUEAXNBG-UHFFFAOYSA-NDB-1971176-Chloro-4-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinecarbonitrile6-chloro-4-[(4,6-dimethylpyridin-2-yl)amino]pyridine-3-carbonitrile1429777-45-6
Database identifiers
- PubChem CID
- 89486707
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 326
Related reactions
2 records
Compound notes
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