7-chlorofuro[2,3-c]pyridine

• ChemBase ID: 63773
• Molecular Formular: C7H4ClNO
• Molecular Mass: 153.56576
• Monoisotopic Mass: 152.99814143
• SMILES: n1ccc2c(c1Cl)occ2
• Canonical SMILES: Clc1nccc2c1occ2
• InChI: InChI=1S/C7H4ClNO/c8-7-6-5(1-3-9-7)2-4-10-6/h1-4H
• InChIKey: YJUYPLVLAHBYCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chlorofuro[2,3-c]pyridine
• IUPAC Traditional name: 7-chlorofuro[2,3-c]pyridine
• Synonyms: 7-Chlorofuro[2,3-c]pyridine

Database IDs

• CAS Number: 84400-99-7
• MDL Number: MFCD09834947
• PubChem SID: 162029512
• PubChem CID: 12826107

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7389103
• LogD (pH = 7.4): 1.7389185
• Log P: 1.7389187
• Molar Refractivity: 38.6083 cm^3
• Polarizability: 15.768377 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

• Purity: 96%