B-(5-Methyl-1H-indazol-4-yl)boronic acid

C₈H₉BN₂O₂CAS 1245816-10-7175.98 g/mol

Open in Covalent MOL file

Boronic acid

Properties

Molecular formula: C₈H₉BN₂O₂
Molar mass: 175.98 g/mol
Exact mass: 176.0757 Da
logP: -0.45Crippen estimate
Polar surface area: 69.1 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1245816-10-7

SMILES

Cc1ccc2n[nH]cc2c1B(O)O

InChIKey

HRURFOBSNYPWDM-UHFFFAOYSA-N

InChI

InChI=1S/C8H9BN2O2/c1-5-2-3-7-6(4-10-11-7)8(5)9(12)13/h2-4,12-13H,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

3 names

Boronic acid, B-(5-methyl-1H-indazol-4-yl)-
(5-Methyl-1H-indazol-4-yl)boronic acid
(5-Methyl-2H-indazol-4-yl)boronic acid

Work with B-(5-Methyl-1H-indazol-4-yl)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

2,6-Dimethylphenylboronic acid100379-00-844 % similar 5-Bromo-4-methyl-1H-indazole1082041-34-643 % similar 2,3,5,6-Tetramethylphenylboronic acid197223-36-235 % similar 2,4,6-Trimethylbenzeneboronic acid5980-97-235 % similar (4-Methyl-1-naphthalene)boronic acid103986-53-435 % similar 2-Chloro-6-fluoro-5-methylphenylboronic acid352535-86-535 % similar 3,4-Dimethylphenylboronic acid55499-43-934 % similar 3,4-Dimethylpyrazole2820-37-333 % 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 1-Methyl-1H-indazole-6-boronic acid1150114-80-9 1-Methyl-1H-indazole-5-boronic acid590418-08-9

Elsewhere

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