furo[3,2-b]pyridine-6-carbonitrile

• ChemBase ID: 50650
• Molecular Formular: C8H4N2O
• Molecular Mass: 144.13016
• Monoisotopic Mass: 144.03236276
• SMILES: c1(cnc2c(c1)occ2)C#N
• Canonical SMILES: N#Cc1cnc2c(c1)occ2
• InChI: InChI=1S/C8H4N2O/c9-4-6-3-8-7(10-5-6)1-2-11-8/h1-3,5H
• InChIKey: XPRRGDCJWVGTLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furo[3,2-b]pyridine-6-carbonitrile
• IUPAC Traditional name: furo[3,2-b]pyridine-6-carbonitrile
• Synonyms: Furo[3,2-b]pyridine-6-carbonitrile; Furo[3,2-b]pyridine-6-carbonitrile

Database IDs

• CAS Number: 1203499-65-3
• MDL Number: MFCD13563098
• PubChem SID: 162055413
• PubChem CID: 46318199

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1566428
• LogD (pH = 7.4): 1.1566433
• Log P: 1.1566433
• Molar Refractivity: 38.0918 cm^3
• Polarizability: 15.650221 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

• Empirical Formula (Hill Notation): C8H4N2O

DETAILS

Sigma Aldrich - ADE001140

Other Notes
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