4-Methoxy-2-oxo-1,2-dihydro-pyridine-3-carbonitrile

C₇H₆N₂O₂CAS 21642-98-8150.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆N₂O₂
Molar mass: 150.14 g/mol
Exact mass: 150.0429 Da
logP: 0.26Crippen estimate
Polar surface area: 65.9 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled33.3% of notifiers
H301 Toxic if swallowed66.7% of notifiers
H302 Harmful if swallowed33.3% of notifiers
H311 Toxic in contact with skin33.3% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H331 Toxic if inhaled33.3% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

21642-98-8

SMILES

COC1=C(C(=O)NC=C1)C#N

InChIKey

MWGIDWPSRDMIQN-UHFFFAOYSA-N

InChI

InChI=1S/C7H6N2O2/c1-11-6-2-3-9-7(10)5(6)4-8/h2-3H,1H3,(H,9,10)

Weigh it out

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

Names and synonyms

1 names

3-Pyridinecarbonitrile, 1,2-dihydro-4-methoxy-2-oxo-

Work with 4-Methoxy-2-oxo-1,2-dihydro-pyridine-3-carbonitrile

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-Dimethoxybenzonitrile16932-49-353 % similar 2,4,6-Trimethoxybenzonitrile2571-54-247 % similar 2-Fluoro-6-methoxybenzonitrile94088-46-745 % similar 2-Chloro-4-methoxy-3-pyridinecarbonitrile98645-43-343 % similar 2-Methoxybenzonitrile6609-56-941 % similar 3,4-Dimethoxybenzonitrile2024-83-139 % similar 2,6-Difluoro-4-methoxybenzonitrile123843-66-338 % similar 2,3,4-Trimethoxybenzonitrile43020-38-838 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Methylbenzofurazan-1-oxide19164-41-1 2H-Pyrido(3,2-b)-1,4-oxazin-3(4H)-one20348-09-8 1,2-Dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile5444-02-0 Diazenylbenzoic acid58434-28-9 Prop-2-yn-1-yl 1H-imidazole-1-carboxylate83395-38-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook