2-(4-fluoro-3-{pyrazolo[1,5-a]pyridin-7-yl}phenyl)acetic acid

• ChemBase ID: 596750
• Molecular Formular: C15H11FN2O2
• Molecular Mass: 270.2584432
• Monoisotopic Mass: 270.08045582
• SMILES: n12c(c3c(ccc(c3)CC(=O)O)F)cccc1ccn2
• Canonical SMILES: OC(=O)Cc1ccc(c(c1)c1cccc2n1ncc2)F
• InChI: InChI=1S/C15H11FN2O2/c16-13-5-4-10(9-15(19)20)8-12(13)14-3-1-2-11-6-7-17-18(11)14/h1-8H,9H2,(H,19,20)
• InChIKey: IUCMUALKJBKXBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluoro-3-{pyrazolo[1,5-a]pyridin-7-yl}phenyl)acetic acid
• IUPAC Traditional name: (4-fluoro-3-{pyrazolo[1,5-a]pyridin-7-yl}phenyl)acetic acid
• Synonyms: (4-fluoro-3-pyrazolo[1,5-a]pyridin-7-ylphenyl)acetic acid

CALCULATED PROPERTIES

JChem

• Acid pKa: 4.079056
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4123963
• LogD (pH = 7.4): -0.26405638
• Log P: 2.8508596
• Molar Refractivity: 82.5156 cm^3
• Polarizability: 28.731903 Å^3
• Polar Surface Area: 54.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.23
• LOG S: -3.54
• Polar Surface Area: 54.6 Å^2
• Rotatable Bonds: 3