5-chlorothieno[3,2-b]pyridine-6-carbaldehyde

• ChemBase ID: 274449
• Molecular Formular: C8H4ClNOS
• Molecular Mass: 197.64146
• Monoisotopic Mass: 196.97021243
• SMILES: n1c(c(cc2c1ccs2)C=O)Cl
• Canonical SMILES: O=Cc1cc2sccc2nc1Cl
• InChI: InChI=1S/C8H4ClNOS/c9-8-5(4-11)3-7-6(10-8)1-2-12-7/h1-4H
• InChIKey: GDIOFTQASMYKFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chlorothieno[3,2-b]pyridine-6-carbaldehyde
• IUPAC Traditional name: 5-chlorothieno[3,2-b]pyridine-6-carbaldehyde
• Synonyms: 5-chlorothieno[3,2-b]pyridine-6-carbaldehyde

Database IDs

• MDL Number: MFCD18838815
• PubChem SID: 164330359
• PubChem CID: 12415569

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5541728
• LogD (pH = 7.4): 2.5541728
• Log P: 2.5541728
• Molar Refractivity: 49.3193 cm^3
• Polarizability: 19.457254 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.695

Product Information

• Purity: 95%