2-Methoxy-3-pyridinecarbonitrile

C₇H₆N₂OCAS 7254-34-4134.14 g/mol

Open in Covalent MOL file

Ether Nitrile

Properties

Molecular formula: C₇H₆N₂O
Molar mass: 134.14 g/mol
Exact mass: 134.0480 Da
Melting point: 78 °C
logP: 0.96Crippen estimate
Polar surface area: 45.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed85.7% of notifiers
H312 Harmful in contact with skin14.3% of notifiers
H315 Causes skin irritation85.7% of notifiers
H319 Causes serious eye irritation85.7% of notifiers
H332 Harmful if inhaled14.3% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 7 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

7254-34-4

SMILES

COc1ncccc1C#N

InChIKey

IHWZCGMZILLKFD-UHFFFAOYSA-N

InChI

InChI=1S/C7H6N2O/c1-10-7-6(5-8)3-2-4-9-7/h2-4H,1H3

Weigh it out

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

Names and synonyms

7 names

3-Pyridinecarbonitrile, 2-methoxy-
Nicotinonitrile, 2-methoxy-
3-Cyano-2-methoxypyridine
NSC 73298
2-Methoxynicotinonitrile
2-Methoxypyridine-3-carbonitrile
2-Methoxy-3-cyanopyridine

Work with 2-Methoxy-3-pyridinecarbonitrile

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-Phenoxy-3-pyridinecarbonitrile14178-15-562 % similar 2-Methylpyridine-3-carbonitrile1721-23-959 % similar 3-Cyano-2-pyridone20577-27-955 % similar 2-Amino-3-cyanopyridine24517-64-455 % similar 2-(2,2,2-Trifluoroethoxy)pyridine-3-carbonitrile175277-89-154 % similar Pyridine-2,3-dicarbonitrile17132-78-453 % similar 2,3-Dimethoxypyridine52605-97-753 % similar 2-Methoxybenzonitrile6609-56-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1H-Pyrrolo[3,2-c]pyridin-2(3H)-one134682-54-5 1H-Indazol-5-ol15579-15-4 2-Methoxy-5-pyridinecarbonitrile15871-85-9 1,3-Benzoxazol-6-amine177492-52-3 5-Hydroxy-3-methylpyridine-2-carbonitrile228867-86-5 1H-Indazol-6-ol23244-88-4 1,3-Dihydro-2H-pyrrolo[3,2-b]pyridin-2-one32501-05-6 3-Amino-1,2-benzisoxazole36216-80-5

Elsewhere

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