methyl 2-methyl-2H-indazole-4-carboxylate

• ChemBase ID: 64513
• Molecular Formular: C10H10N2O2
• Molecular Mass: 190.1986
• Monoisotopic Mass: 190.07422757
• SMILES: c12c(C(=O)OC)cccc1nn(c2)C
• Canonical SMILES: COC(=O)c1cccc2c1cn(n2)C
• InChI: InChI=1S/C10H10N2O2/c1-12-6-8-7(10(13)14-2)4-3-5-9(8)11-12/h3-6H,1-2H3
• InChIKey: VLEQLNMKTVTAAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-methyl-2H-indazole-4-carboxylate
• IUPAC Traditional name: methyl 2-methylindazole-4-carboxylate
• Synonyms: 4-(Methoxycarbonyl)-2-methyl-2H-indazole; Methyl 2-methyl-2H-indazole-4-carboxylate; 2-Methyl-2H-indazole-4-carboxylic acid methyl ester

Database IDs

• CAS Number: 1071428-43-7
• MDL Number: MFCD11109405
• PubChem SID: 162030252
• PubChem CID: 37818684

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7799066
• LogD (pH = 7.4): 1.7799098
• Log P: 1.77991
• Molar Refractivity: 63.0649 cm^3
• Polarizability: 20.833546 Å^3
• Polar Surface Area: 44.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant/Keep Cold
• TSCA Listed: false

Product Information

• Purity: 97%