6-chloroquinoline-8-carbaldehyde

• ChemBase ID: 274014
• Molecular Formular: C10H6ClNO
• Molecular Mass: 191.61374
• Monoisotopic Mass: 191.0137915
• SMILES: c1(c2c(cc(c1)Cl)cccn2)C=O
• Canonical SMILES: O=Cc1cc(Cl)cc2c1nccc2
• InChI: InChI=1S/C10H6ClNO/c11-9-4-7-2-1-3-12-10(7)8(5-9)6-13/h1-6H
• InChIKey: ZSFSBYVHCVFWQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloroquinoline-8-carbaldehyde
• IUPAC Traditional name: 6-chloroquinoline-8-carbaldehyde
• Synonyms: 6-chloroquinoline-8-carbaldehyde

Database IDs

• MDL Number: MFCD15526831
• PubChem SID: 164329924
• PubChem CID: 21818207

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.447158
• LogD (pH = 7.4): 2.447444
• Log P: 2.4474475
• Molar Refractivity: 51.3681 cm^3
• Polarizability: 20.702646 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155 - 157°C
• Hydrophobicity(logP): 2.572

Product Information

• Purity: 95%