6-(5-chlorothiophen-2-yl)pyridine-3-carbaldehyde

• ChemBase ID: 812123
• Molecular Formular: C10H6ClNOS
• Molecular Mass: 223.67874
• Monoisotopic Mass: 222.9858625
• SMILES: c1c(cnc(c1)c1sc(cc1)Cl)C=O
• Canonical SMILES: O=Cc1ccc(nc1)c1ccc(s1)Cl
• InChI: InChI=1S/C10H6ClNOS/c11-10-4-3-9(14-10)8-2-1-7(6-13)5-12-8/h1-6H
• InChIKey: HGFNYFITEFXFBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(5-chlorothiophen-2-yl)pyridine-3-carbaldehyde
• IUPAC Traditional name: 6-(5-chlorothiophen-2-yl)pyridine-3-carbaldehyde
• Synonyms: 6-(5-CHLORO-2-THIENYL)NICOTINALDEHYDE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0481613
• LogD (pH = 7.4): 3.048338
• Log P: 3.04834
• Molar Refractivity: 56.1039 cm^3
• Polarizability: 22.86431 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%