6-formylpyridine-2-carbonitrile

• ChemBase ID: 290141
• Molecular Formular: C7H4N2O
• Molecular Mass: 132.11946
• Monoisotopic Mass: 132.03236276
• SMILES: O=Cc1nc(ccc1)C#N
• Canonical SMILES: O=Cc1cccc(n1)C#N
• InChI: InChI=1S/C7H4N2O/c8-4-6-2-1-3-7(5-10)9-6/h1-3,5H
• InChIKey: ZRXBMWPJUPMZCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-formylpyridine-2-carbonitrile
• IUPAC Traditional name: 6-formylpyridine-2-carbonitrile
• Synonyms: 6-Formylpicolinonitrile

Database IDs

• CAS Number: 85148-95-4
• PubChem SID: 180675672
• PubChem CID: 2748338

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.384565
• LogD (pH = 7.4): 1.3845654
• Log P: 1.3845654
• Molar Refractivity: 35.4495 cm^3
• Polarizability: 13.1787615 Å^3
• Polar Surface Area: 53.75 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%