pyridine-3,5-dicarbonitrile

• ChemBase ID: 123327
• Molecular Formular: C7H3N3
• Molecular Mass: 129.11882
• Monoisotopic Mass: 129.03269711
• SMILES: N#Cc1cc(C#N)cnc1
• Canonical SMILES: N#Cc1cncc(c1)C#N
• InChI: InChI=1S/C7H3N3/c8-2-6-1-7(3-9)5-10-4-6/h1,4-5H
• InChIKey: UHPIOPMELXIDLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridine-3,5-dicarbonitrile
• IUPAC Traditional name: pyridine-3,5-dicarbonitrile
• Synonyms: pyridine-3,5-dicarbonitrile

Database IDs

• PubChem SID: 162217680
• PubChem CID: 70956

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.46776575
• LogD (pH = 7.4): 0.46776578
• Log P: 0.46776578
• Molar Refractivity: 35.3443 cm^3
• Polarizability: 13.097261 Å^3
• Polar Surface Area: 60.47 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true