chempirical

5-Methylpyridine-3-boronic acid

C6H8BNO2CAS 173999-18-3136.94 g/mol

Open in Covalent MOL file
BNHOHO
Boronic acid

Properties

Molecular formula
C6H8BNO2
Molar mass
136.94 g/mol
Exact mass
137.0648 Da
logP
-0.93Crippen estimate
Polar surface area
53.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
173999-18-3
SMILES
B(C1=CC(=CN=C1)C)(O)O
InChIKey
REONQWGHSQHTAC-UHFFFAOYSA-N
InChI
InChI=1S/C6H8BNO2/c1-5-2-6(7(9)10)4-8-3-5/h2-4,9-10H,1H3

Weigh it out

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

Work with 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

(3,5-Dimethylphenyl)boronic acid172975-69-858 % similar 3,5-Lutidine591-22-054 % similar (5-Fluoropyridin-3-yl)boronic acid872041-86-653 % similar 3-Methylphenylboronic acid17933-03-850 % similar P-Tolylboronic acid5720-05-846 % similar B-(2-Chloro-5-methyl-3-pyridinyl)boronic acid913835-86-644 % similar 3-Bromo-5-methylpyridine3430-16-843 % similar 5-Methyl-3-pyridinamine3430-19-143 % similar

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

Same formula

4-Methylpyridine-3-boronic acid148546-82-1 3-Aminophenylboronic acid30418-59-8 B-(2-Aminophenyl)boronic acid5570-18-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook