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

C₈H₉BN₂O₂CAS 1001907-60-3175.98 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: -0.75Crippen estimate
Polar surface area: 58.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% 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

1001907-60-3

SMILES

Cn1ncc2c(B(O)O)cccc21

InChIKey

MDEHELJMJCXYIU-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

Boronic acid, B-(1-methyl-1H-indazol-4-yl)-
(1-Methyl-1H-indazol-4-yl)boronic acid
1-Methylindazole-4-boronic acid
(1-Methylindazol-4-yl)boronic acid
1-Methyl-1H-indazole-4-boronic acid

Work with B-(1-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

B-(1-Methyl-1H-indol-4-yl)boronic acid590417-56-453 % similar 1-Methyl-4-nitro-1H-indazole26120-43-447 % similar Isoquinoline-5-boronic acid371766-08-443 % similar Isoquinoline-8-boronic acid721401-43-043 % similar 1-Naphthylboronic acid13922-41-342 % similar (1-Methyl-1H-pyrazol-5-yl)boronic acid720702-41-041 % similar B-[2-(9H-Carbazol-9-yl)phenyl]boronic acid1189047-28-640 % similar Quinolin-5-ylboronic acid355386-94-640 % 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 1-Methyl-1H-indazole-6-boronic acid1150114-80-9 B-(5-Methyl-1H-indazol-4-yl)boronic acid1245816-10-7 1-Methyl-1H-indazole-5-boronic acid590418-08-9

Elsewhere

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