chempirical

Methyl 1H-indazole-6-carboxylate

C9H8N2O2CAS 170487-40-8176.18 g/mol

Open in Covalent MOL file
OONNH
Ester

Properties

Molecular formula
C9H8N2O2
Molar mass
176.18 g/mol
Exact mass
176.0586 Da
logP
1.35Crippen estimate
Polar surface area
55.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
170487-40-8
SMILES
COC(=O)C1=CC2=C(C=C1)C=NN2
InChIKey
TUSICEWIXLMXEY-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2O2/c1-13-9(12)6-2-3-7-5-10-11-8(7)4-6/h2-5H,1H3,(H,10,11)

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Work with Methyl 1H-indazole-6-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Dimethyl 2,6-naphthalenedicarboxylate840-65-362 % similar Indole-6-carboxylic acid methyl ester50820-65-062 % similar Dimethyl terephthalate120-61-656 % similar Methyl 2-naphthoate2459-25-855 % similar Methyl 3-iodoindazole-5-carboxylate885271-25-055 % similar Methyl indole-5-carboxylate1011-65-054 % similar 4,4′-Dimethyl [1,1′-biphenyl]-4,4′-dicarboxylate792-74-551 % similar Methyl 1,2,3-benzotriazole-5-carboxylate113053-50-251 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Methyl-1H-indazole-3-carboxylic acid1201-24-7 Methyl 7-azaindole-6-carboxylate1256825-86-1 Methyl imidazo[1,2-A]pyridine-6-carboxylate136117-69-6 5-Amino-1H-indole-2-carboxylic acid152213-40-6 Imidazo[1,2-A]pyridine-3-acetic acid17745-04-9 Pemoline2152-34-3 N-(4-Cyanophenyl)glycine42288-26-6 2-Methyl-5-nitroindole7570-47-0

Elsewhere

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