chempirical

2,6-Dimethoxypyridine-3-boronic acid

C7H10BNO4CAS 221006-70-8182.97 g/mol

Open in Covalent MOL file
BNOOHOHO
Boronic acidEther

Properties

Molecular formula
C7H10BNO4
Molar mass
182.97 g/mol
Exact mass
183.0703 Da
logP
-1.22Crippen estimate
Polar surface area
71.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
221006-70-8
SMILES
B(C1=C(N=C(C=C1)OC)OC)(O)O
InChIKey
ADGHSWFUZUADDH-UHFFFAOYSA-N
InChI
InChI=1S/C7H10BNO4/c1-12-6-4-3-5(8(10)11)7(9-6)13-2/h3-4,10-11H,1-2H3

Weigh it out

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Names and synonyms

1 names
  • (2,6-Dimethoxypyridin-3-yl)boronic acid

Work with 2,6-Dimethoxypyridine-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

2,6-Dimethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine214360-59-557 % similar (2-Methoxypyridin-3-yl)boronic acid163105-90-654 % similar (2,4-Dimethoxypyrimidin-5-yl)boronic acid89641-18-953 % similar (6-Methoxypyridin-3-yl)boronic acid163105-89-347 % similar B-(3-Chloro-2-methoxy-4-pyridinyl)boronic acid957060-88-746 % similar 2,3,4-Trimethoxybenzeneboronic acid118062-05-844 % similar 2,4-Dimethoxybenzeneboronic acid133730-34-443 % similar 2-Methoxyphenylboronic acid5720-06-943 % similar

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

Elsewhere

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