4-chloro-2-methylfuro[3,2-c]pyridine

• ChemBase ID: 238825
• Molecular Formular: C8H6ClNO
• Molecular Mass: 167.59234
• Monoisotopic Mass: 167.0137915
• SMILES: c12c(oc(c1)C)ccnc2Cl
• Canonical SMILES: Cc1oc2c(c1)c(Cl)ncc2
• InChI: InChI=1S/C8H6ClNO/c1-5-4-6-7(11-5)2-3-10-8(6)9/h2-4H,1H3
• InChIKey: LRXMMHCYTFNTEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-methylfuro[3,2-c]pyridine
• IUPAC Traditional name: 4-chloro-2-methylfuro[3,2-c]pyridine
• Synonyms: 4-chloro-2-methylfuro[3,2-c]pyridine

Database IDs

• MDL Number: MFCD11215553
• PubChem SID: 164294735
• PubChem CID: 10678667

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9384774
• LogD (pH = 7.4): 1.9384799
• Log P: 1.93848
• Molar Refractivity: 43.758 cm^3
• Polarizability: 17.513178 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 38 - 40°C
• Hydrophobicity(logP): 2.501

Product Information

• Purity: 95%