Carbonic acid di-2-pyridyl ester

C₁₁H₈N₂O₃CAS 1659-31-0216.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₈N₂O₃
Molar mass: 216.20 g/mol
Exact mass: 216.0535 Da
logP: 2.05Crippen estimate
Polar surface area: 61.3 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

1659-31-0

SMILES

C1=CC=NC(=C1)OC(=O)OC2=CC=CC=N2

InChIKey

GCSAXWHQFYOIFE-UHFFFAOYSA-N

InChI

InChI=1S/C11H8N2O3/c14-11(15-9-5-1-3-7-12-9)16-10-6-2-4-8-13-10/h1-8H

Weigh it out

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

Work with Carbonic acid di-2-pyridyl ester

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

O,O-Dipyridin-2-yl carbonothioate96989-50-359 % similar 2-Methoxypyridine1628-89-348 % similar Diphenyl carbonate102-09-046 % similar 2-Ethoxypyridine14529-53-444 % similar 2-Pyridyl ketone19437-26-443 % similar 2,2′-Pyridil492-73-943 % similar Methyl picolinate2459-07-640 % similar 1,3-Di(2-pyridyl)-1,3-propanedione10198-89-739 % similar

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

Elsewhere

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