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Basic information
- Standard SMILES
N#Cc1c(-c2ccc(N)cc2)ccnc1Cl- InChIKey
XPRGGMHFLYDFHC-UHFFFAOYSA-N- Molecular formula
- C12H8ClN3
- Average molar mass
- 229.66 g/mol
- Monoisotopic mass
- 229.040675
Names & identifiers
- Preferred name
- 4-(4-Amino-phenyl)-2-chloro-nicotinonitrile
- IUPAC
- 4-(4-aminophenyl)-2-chloropyridine-3-carbonitrile
Names & synonyms
SCHEMBL1702791XPRGGMHFLYDFHC-UHFFFAOYSA-N4-(4-amino-phenyl)-2-chloro-nicotinonitrile
Database identifiers
- PubChem CID
- 86242561
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 277
Related reactions
1 records
Compound notes
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