7-fluoro-1-methyl-1H-indazol-3-amine

• ChemBase ID: 64501
• Molecular Formular: C8H8FN3
• Molecular Mass: 165.1676232
• Monoisotopic Mass: 165.07022549
• SMILES: n1(nc(c2c1c(F)ccc2)N)C
• Canonical SMILES: Fc1cccc2c1n(C)nc2N
• InChI: InChI=1S/C8H8FN3/c1-12-7-5(8(10)11-12)3-2-4-6(7)9/h2-4H,1H3,(H2,10,11)
• InChIKey: YTDIFLCLNBYPMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoro-1-methyl-1H-indazol-3-amine
• IUPAC Traditional name: 7-fluoro-1-methylindazol-3-amine
• Synonyms: 7-Fluoro-1-methyl-1H-indazol-3-amine; 3-Amino-7-fluoro-1-methyl-1H-indazole; 7-Fluoro-1-methyl-1H-indazol-3-ylamine

Database IDs

• CAS Number: 171809-14-6
• MDL Number: MFCD11109399
• PubChem SID: 162030240
• PubChem CID: 15239651

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3267392
• LogD (pH = 7.4): 1.3281987
• Log P: 1.3282173
• Molar Refractivity: 56.5194 cm^3
• Polarizability: 17.187595 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 98%