6-fluoro-1-methyl-1H-indazole

• ChemBase ID: 287648
• Molecular Formular: C8H7FN2
• Molecular Mass: 150.1529832
• Monoisotopic Mass: 150.05932645
• SMILES: Cn1ncc2c1cc(F)cc2
• Canonical SMILES: Fc1ccc2c(c1)n(C)nc2
• InChI: InChI=1S/C8H7FN2/c1-11-8-4-7(9)3-2-6(8)5-10-11/h2-5H,1H3
• InChIKey: JQHUBDRPYSEPNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-1-methyl-1H-indazole
• IUPAC Traditional name: 6-fluoro-1-methylindazole
• Synonyms: 6-Fluoro-1-methyl-1H-indazole

Database IDs

• CAS Number: 1209534-87-1
• MDL Number: MFCD11977522
• PubChem SID: 180673179
• PubChem CID: 45789840

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5626696
• LogD (pH = 7.4): 1.5626855
• Log P: 1.5626857
• Molar Refractivity: 51.5055 cm^3
• Polarizability: 16.045439 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%