1-(difluoromethyl)-1H-indazol-5-amine

• ChemBase ID: 241560
• Molecular Formular: C8H7F2N3
• Molecular Mass: 183.1580864
• Monoisotopic Mass: 183.06080368
• SMILES: n1(ncc2c1ccc(c2)N)C(F)F
• Canonical SMILES: Nc1ccc2c(c1)cnn2C(F)F
• InChI: InChI=1S/C8H7F2N3/c9-8(10)13-7-2-1-6(11)3-5(7)4-12-13/h1-4,8H,11H2
• InChIKey: QJXBGEXVNVGQTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(difluoromethyl)-1H-indazol-5-amine
• IUPAC Traditional name: 1-(difluoromethyl)indazol-5-amine
• Synonyms: 1-(difluoromethyl)-1H-indazol-5-amine

Database IDs

• MDL Number: MFCD22741183
• PubChem SID: 164297470
• PubChem CID: 71756815

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5162314
• LogD (pH = 7.4): 1.517796
• Log P: 1.5178161
• Molar Refractivity: 55.9984 cm^3
• Polarizability: 17.055426 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 77 - 79°C
• Hydrophobicity(logP): 1.041

Product Information

• Purity: 95%