2-Methoxypyrimidine-5-boronic acid

C₅H₇BN₂O₃CAS 628692-15-9153.93 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₅H₇BN₂O₃
Molar mass: 153.93 g/mol
Exact mass: 154.0550 Da
logP: -1.83Crippen estimate
Polar surface area: 75.5 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed89.1% of notifiers
H315 Causes skin irritation15.2% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation13% of notifiers

Aggregated from 46 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

628692-15-9

SMILES

B(C1=CN=C(N=C1)OC)(O)O

InChIKey

YPWAJLGHACDYQS-UHFFFAOYSA-N

InChI

InChI=1S/C5H7BN2O3/c1-11-5-7-2-4(3-8-5)6(9)10/h2-3,9-10H,1H3

Weigh it out

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

Work with 2-Methoxypyrimidine-5-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-Methoxypyridin-3-yl)boronic acid163105-89-358 % similar (2,4-Dimethoxypyrimidin-5-yl)boronic acid89641-18-955 % similar 5-Fluoro-6-methoxypyridine-3-boronic acid856250-60-751 % similar 2-Chloropyrimidine-5-boronic acid1003845-06-450 % similar [2-(Dimethylamino)pyrimidin-5-yl]boronic acid756817-82-050 % similar 5-Methoxypyridine-3-boronic acid850991-69-448 % similar 5-Bromo-2-methoxypyrimidine14001-66-248 % similar 2-Methoxypyrimidin-5-amine56621-89-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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