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

• ChemBase ID: 238826
• Molecular Formular: C9H8ClNO
• Molecular Mass: 181.61892
• Monoisotopic Mass: 181.02944156
• SMILES: c12c(oc(c1)CC)ccnc2Cl
• Canonical SMILES: CCc1oc2c(c1)c(Cl)ncc2
• InChI: InChI=1S/C9H8ClNO/c1-2-6-5-7-8(12-6)3-4-11-9(7)10/h3-5H,2H2,1H3
• InChIKey: JYVFPUCOBMPXEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22391989
• PubChem SID: 164294736
• PubChem CID: 71756241

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4609997
• LogD (pH = 7.4): 2.4610023
• Log P: 2.4610023
• Molar Refractivity: 48.282 cm^3
• Polarizability: 19.353533 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.03

Product Information

• Purity: 95%