furo[2,3-c]pyridine-2-carbonitrile

• ChemBase ID: 65878
• Molecular Formular: C8H4N2O
• Molecular Mass: 144.13016
• Monoisotopic Mass: 144.03236276
• SMILES: c1ncc2c(c1)cc(o2)C#N
• Canonical SMILES: N#Cc1cc2c(o1)cncc2
• InChI: InChI=1S/C8H4N2O/c9-4-7-3-6-1-2-10-5-8(6)11-7/h1-3,5H
• InChIKey: MFIZNCADACKZAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furo[2,3-c]pyridine-2-carbonitrile
• IUPAC Traditional name: furo[2,3-c]pyridine-2-carbonitrile
• Synonyms: Furo[2,3-c]pyridine-2-carbonitrile

Database IDs

• CAS Number: 112372-12-0
• MDL Number: MFCD15143901
• PubChem SID: 162031617
• PubChem CID: 13803069

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.6839696
• LogD (pH = 7.4): 0.6907074
• Log P: 0.6907941
• Molar Refractivity: 38.3413 cm^3
• Polarizability: 15.651188 Å^3
• Polar Surface Area: 49.82 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%