6-Bromo-5-methylpyridine-3-boronic acid

C6H7BBrNO2CAS 1003043-34-2215.84 g/mol

Open in Covalent MOL file
BNBrHOHO
Aryl halideBoronic acid

Properties

Molecular formula
C6H7BBrNO2
Molar mass
215.84 g/mol
Exact mass
214.9753 Da
logP
-0.17Crippen estimate
Polar surface area
53.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 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
1003043-34-2
SMILES
B(C1=CC(=C(N=C1)Br)C)(O)O
InChIKey
IPCXBKSYMWZLBR-UHFFFAOYSA-N
InChI
InChI=1S/C6H7BBrNO2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3,10-11H,1H3

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Names and synonyms

1 names
  • 2-Bromo-3-methylpyridine-5-boronic acid

Work with 6-Bromo-5-methylpyridine-3-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

6-Chloro-5-methylpyridine-3-boronic acid1003043-40-059 % similar (6-Fluoro-5-methylpyridin-3-yl)boronic acid904326-92-759 % similar 2,5-Dibromo-3-methylpyridine3430-18-053 % similar 2-Bromo-3,5-dimethylpyridine92992-85-353 % similar 5-Amino-2-bromo-3-methylpyridine38186-83-350 % similar 2-Bromo-5-fluoro-3-methylpyridine38186-85-550 % similar 2-Bromo-5-chloro-3-methylpyridine65550-77-850 % similar 3,4-Dimethylphenylboronic acid55499-43-945 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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