7-(3-ethenylphenyl)pyrazolo[1,5-a]pyridine

• ChemBase ID: 848262
• Molecular Formular: C15H12N2
• Molecular Mass: 220.26918
• Monoisotopic Mass: 220.10004839
• SMILES: n12c(c3cc(C=C)ccc3)cccc1ccn2
• Canonical SMILES: C=Cc1cccc(c1)c1cccc2n1ncc2
• InChI: InChI=1S/C15H12N2/c1-2-12-5-3-6-13(11-12)15-8-4-7-14-9-10-16-17(14)15/h2-11H,1H2
• InChIKey: QGPPZROZORCZDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(3-ethenylphenyl)pyrazolo[1,5-a]pyridine
• IUPAC Traditional name: 7-(3-ethenylphenyl)pyrazolo[1,5-a]pyridine
• Synonyms: 7-(3-vinylphenyl)pyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8070185
• LogD (pH = 7.4): 3.8071103
• Log P: 3.8071115
• Molar Refractivity: 80.6779 cm^3
• Polarizability: 28.603518 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 0
• Log P: 3.92
• LOG S: -4.16
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 2