5-(1H-indazol-1-yl)pyridin-2-amine

• ChemBase ID: 553052
• Molecular Formular: C12H10N4
• Molecular Mass: 210.2346
• Monoisotopic Mass: 210.09054634
• SMILES: n1(ncc2c1cccc2)c1cnc(N)cc1
• Canonical SMILES: Nc1ccc(cn1)n1ncc2c1cccc2
• InChI: InChI=1S/C12H10N4/c13-12-6-5-10(8-14-12)16-11-4-2-1-3-9(11)7-15-16/h1-8H,(H2,13,14)
• InChIKey: PRXBPNBPFQGIMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1H-indazol-1-yl)pyridin-2-amine
• IUPAC Traditional name: 5-(indazol-1-yl)pyridin-2-amine
• Synonyms: 5-(1H-indazol-1-yl)pyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.88772917
• LogD (pH = 7.4): 1.5980345
• Log P: 1.6258013
• Molar Refractivity: 63.6044 cm^3
• Polarizability: 25.208689 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.62
• LOG S: -2.98
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 1