6-chlorofuro[3,2-b]pyridine

• ChemBase ID: 33030
• Molecular Formular: C7H4ClNO
• Molecular Mass: 153.56576
• Monoisotopic Mass: 152.99814143
• SMILES: c1(cnc2c(c1)occ2)Cl
• Canonical SMILES: Clc1cnc2c(c1)occ2
• InChI: InChI=1S/C7H4ClNO/c8-5-3-7-6(9-4-5)1-2-10-7/h1-4H
• InChIKey: JVLOPJUYEYEQIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chlorofuro[3,2-b]pyridine
• IUPAC Traditional name: 6-chlorofuro[3,2-b]pyridine
• Synonyms: 6-Chlorofuro[3,2-b]pyridine; 6-Chlorofuro[3,2-b]pyridine

Database IDs

• CAS Number: 1142192-61-7
• MDL Number: MFCD12026772
• PubChem SID: 160996337
• PubChem CID: 46736891

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9045577
• LogD (pH = 7.4): 1.9045913
• Log P: 1.9045918
• Molar Refractivity: 37.175 cm^3
• Polarizability: 15.698583 Å^3
• Polar Surface Area: 26.03 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): C7H4ClNO

DETAILS

Sigma Aldrich - ADE001142

Other Notes
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