[4-(2-aminopyridin-4-yl)phenyl]methanol

• ChemBase ID: 678568
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: c1(nccc(c2ccc(cc2)CO)c1)N
• Canonical SMILES: OCc1ccc(cc1)c1ccnc(c1)N
• InChI: InChI=1S/C12H12N2O/c13-12-7-11(5-6-14-12)10-3-1-9(8-15)2-4-10/h1-7,15H,8H2,(H2,13,14)
• InChIKey: BHTWYVKEKSARDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(2-aminopyridin-4-yl)phenyl]methanol
• IUPAC Traditional name: [4-(2-aminopyridin-4-yl)phenyl]methanol
• Synonyms: [4-(2-aminopyridin-4-yl)phenyl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.989075
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.29454362
• LogD (pH = 7.4): 1.3067031
• Log P: 1.4009806
• Molar Refractivity: 60.8671 cm^3
• Polarizability: 24.012215 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.17
• LOG S: -1.66
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 2