(4-chloro-1-methyl-1H-indazol-3-yl)methanamine

• ChemBase ID: 308310
• Molecular Formular: C9H10ClN3
• Molecular Mass: 195.6488
• Monoisotopic Mass: 195.05632502
• SMILES: n1c(c2c(n1C)cccc2Cl)CN
• Canonical SMILES: NCc1nn(c2c1c(Cl)ccc2)C
• InChI: InChI=1S/C9H10ClN3/c1-13-8-4-2-3-6(10)9(8)7(5-11)12-13/h2-4H,5,11H2,1H3
• InChIKey: UGHJGGLJSVXACJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chloro-1-methyl-1H-indazol-3-yl)methanamine
• IUPAC Traditional name: (4-chloro-1-methylindazol-3-yl)methanamine
• Synonyms: 1-(4-chloro-1-methyl-1H-indazol-3-yl)methanamine

Database IDs

• MDL Number: MFCD10686606

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5469685
• LogD (pH = 7.4): -0.016972175
• Log P: 1.2312688
• Molar Refractivity: 64.0451 cm^3
• Polarizability: 21.644253 Å^3
• Polar Surface Area: 43.84 Å^2