chempirical

1-Methyl-1H-indazole-6-boronic acid

C8H9BN2O2CAS 1150114-80-9175.98 g/mol

Open in Covalent MOL file
BNNHOHO
Boronic acid

Properties

Molecular formula
C8H9BN2O2
Molar mass
175.98 g/mol
Exact mass
176.0757 Da
logP
-0.75Crippen estimate
Polar surface area
58.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
1150114-80-9
SMILES
B(C1=CC2=C(C=C1)C=NN2C)(O)O
InChIKey
OMVQAWCHQBKZCF-UHFFFAOYSA-N
InChI
InChI=1S/C8H9BN2O2/c1-11-8-4-7(9(12)13)3-2-6(8)5-10-11/h2-5,12-13H,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 1-Methyl-1H-indazol-6-boronic acid

Work with 1-Methyl-1H-indazole-6-boronic acid

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

1-Methyl-1H-indazol-6-amine74728-65-756 % similar (1-Methyl-1H-pyrazol-4-yl)boronic acid847818-55-741 % similar 2-Naphthylboronic acid32316-92-040 % similar 3,4-Dimethylphenylboronic acid55499-43-939 % similar B-(6-Hydroxy-2-naphthalenyl)boronic acid173194-95-138 % similar 1-Methyl-5-nitroindazole5228-49-938 % similar 7-Bromo-1-methyl-1H-indazole1000576-59-938 % similar (9-Phenyl-9H-carbazol-2-yl)boronic acid1001911-63-236 % similar

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

Same formula

B-(1-Methyl-1H-indazol-7-yl)boronic acid1001907-59-0 B-(1-Methyl-1H-indazol-4-yl)boronic acid1001907-60-3 B-(5-Methyl-1H-indazol-4-yl)boronic acid1245816-10-7

Elsewhere

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