{4-[4-(trifluoromethyl)pyridin-2-yl]phenyl}methanol

• ChemBase ID: 537882
• Molecular Formular: C13H10F3NO
• Molecular Mass: 253.2198096
• Monoisotopic Mass: 253.07144861
• SMILES: C(c1cc(ncc1)c1ccc(cc1)CO)(F)(F)F
• Canonical SMILES: OCc1ccc(cc1)c1nccc(c1)C(F)(F)F
• InChI: InChI=1S/C13H10F3NO/c14-13(15,16)11-5-6-17-12(7-11)10-3-1-9(8-18)2-4-10/h1-7,18H,8H2
• InChIKey: BPPNOQMOTIUMBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[4-(trifluoromethyl)pyridin-2-yl]phenyl}methanol
• IUPAC Traditional name: {4-[4-(trifluoromethyl)pyridin-2-yl]phenyl}methanol
• Synonyms: {4-[4-(trifluoromethyl)-2-pyridinyl]phenyl}methanol

CALCULATED PROPERTIES

JChem

• Log P: 2.8991477
• Molar Refractivity: 61.4549 cm^3
• Polarizability: 23.803776 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 14.946803
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8797877
• LogD (pH = 7.4): 2.8988981

供应商提供(Chembridge)

• Log P: 2.73
• LOG S: -3.38
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 3
• H Acceptors: 2
• H Donor: 1