2-(quinolin-8-yloxy)pyridine-3-carboxylic acid

• ChemBase ID: 122762
• Molecular Formular: C15H10N2O3
• Molecular Mass: 266.2515
• Monoisotopic Mass: 266.06914219
• SMILES: c1(c(C(=O)O)cccn1)Oc1c2ncccc2ccc1
• Canonical SMILES: OC(=O)c1cccnc1Oc1cccc2c1nccc2
• InChI: InChI=1S/C15H10N2O3/c18-15(19)11-6-3-9-17-14(11)20-12-7-1-4-10-5-2-8-16-13(10)12/h1-9H,(H,18,19)
• InChIKey: QKUCENYSZARJKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(quinolin-8-yloxy)pyridine-3-carboxylic acid
• IUPAC Traditional name: 2-(quinolin-8-yloxy)pyridine-3-carboxylic acid
• Synonyms: 2-(quinolin-8-yloxy)nicotinic acid

Database IDs

• PubChem SID: 162217115
• PubChem CID: 42481049

CALCULATED PROPERTIES

• Acid pKa: 4.4257665
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5501659
• LogD (pH = 7.4): -0.2083356
• Log P: 2.5065863
• Molar Refractivity: 71.6329 cm^3
• Polarizability: 28.70386 Å^3
• Polar Surface Area: 72.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true