quinolin-8-yl 2-chloropyridine-3-carboxylate

• ChemBase ID: 86284
• Molecular Formular: C15H9ClN2O2
• Molecular Mass: 284.69716
• Monoisotopic Mass: 284.03525522
• SMILES: O(c1c2ncccc2ccc1)C(=O)c1cccnc1Cl
• Canonical SMILES: O=C(c1cccnc1Cl)Oc1cccc2c1nccc2
• InChI: InChI=1S/C15H9ClN2O2/c16-14-11(6-3-9-18-14)15(19)20-12-7-1-4-10-5-2-8-17-13(10)12/h1-9H
• InChIKey: FTXWXQWGNMXIEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinolin-8-yl 2-chloropyridine-3-carboxylate
• IUPAC Traditional name: quinolin-8-yl 2-chloropyridine-3-carboxylate
• Synonyms: quinolin-8-yl 2-chloronicotinate

Database IDs

• MDL Number: MFCD01764804
• PubChem SID: 162073400
• PubChem CID: 2798346

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3983545
• LogD (pH = 7.4): 3.3988786
• Log P: 3.3988853
• Molar Refractivity: 75.4914 cm^3
• Polarizability: 30.146544 Å^3
• Polar Surface Area: 52.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true