5-Methoxypyridine-3-boronic acid

C6H8BNO3CAS 850991-69-4152.94 g/mol

Open in Covalent MOL file
BNOHOHO
Boronic acidEther

Properties

Molecular formula
C6H8BNO3
Molar mass
152.94 g/mol
Exact mass
153.0597 Da
logP
-1.23Crippen estimate
Polar surface area
62.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 4 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
850991-69-4
SMILES
B(C1=CC(=CN=C1)OC)(O)O
InChIKey
ISDFOFZTZUILPE-UHFFFAOYSA-N
InChI
InChI=1S/C6H8BNO3/c1-11-6-2-5(7(9)10)3-8-4-6/h2-4,9-10H,1H3

Weigh it out

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

Work with 5-Methoxypyridine-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-Dimethoxyphenylboronic acid192182-54-062 % similar 3-Methoxypyridine-5-boronic acid pinacol ester445264-60-856 % similar (3-Methoxyphenyl)boronic acid10365-98-755 % similar 5-Methylpyridine-3-boronic acid173999-18-353 % similar (4-Methoxyphenyl)boronic acid5720-07-052 % similar 3-Fluoro-5-methoxyphenylboronic acid609807-25-251 % similar 3-Chloro-5-methoxybenzeneboronic acid915201-07-951 % similar 6-Methoxy-2-naphthaleneboronic acid156641-98-449 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(6-Methoxypyridin-3-yl)boronic acid163105-89-3 (2-Methoxypyridin-3-yl)boronic acid163105-90-6 4-Methoxypyridine-3-boronic acid355004-67-0 2-Methoxypyridne-4-boronic acid762262-09-9

Elsewhere

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