Basic information
- Standard SMILES
N#Cc1cc2c(Nc3cccc(Cl)c3)ncnc2[nH]1- InChIKey
DKRKYQJAGJAZRT-UHFFFAOYSA-N- Molecular formula
- C13H8ClN5
- Average molar mass
- 269.69 g/mol
Names & identifiers
- Preferred name
- 4-(3-chloroanilino)-6-cyano-7H-pyrrolo[2,3-d]pyrimidine
- IUPAC
- 4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carbonitrile
Names & synonyms
SCHEMBL4771575DKRKYQJAGJAZRT-UHFFFAOYSA-N4-(3-chloroanilino)-6-cyano-7H-pyrrolo[2,3-d]pyrimidine
Database identifiers
- PubChem CID
- 21262671
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 367
Related reactions
3 records
Compound notes
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