3-Cyanopyridine 1-oxide

C₆H₄N₂OCAS 14906-64-0120.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₄N₂O
Molar mass: 120.11 g/mol
Exact mass: 120.0324 Da
Melting point: 175–176 °C
logP: 0.19Crippen estimate
Polar surface area: 50.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled20% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 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

14906-64-0

SMILES

N#Cc1ccc[n+]([O-])c1

InChIKey

WOOVSQCALYYUDO-UHFFFAOYSA-N

InChI

InChI=1S/C6H4N2O/c7-4-6-2-1-3-8(9)5-6/h1-3,5H

Weigh it out

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

Names and synonyms

8 names

3-Pyridinecarbonitrile, 1-oxide
Nicotinonitrile, 1-oxide
3-Cyanopyridine N-oxide
Nicotinonitrile N-oxide
NSC 170850
1-Oxidopyridin-1-ium-3-carbonitrile
3-Cyanopyridin-1-ium-1-olate
Nicotinonitrile 1-oxide

Work with 3-Cyanopyridine 1-oxide

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

3-Fluoropyridine N-oxide695-37-447 % similar Benzonitrile100-47-046 % similar 3-Methylpyridine N-oxide1003-73-245 % similar 3-Chloropyridine N-oxide1851-22-545 % similar 3-Bromopyridine oxide2402-97-345 % similar Pyridin-3-ol 1-oxide6602-28-445 % similar Isophthalonitrile626-17-543 % similar Isoquinolin-N-oxide1532-72-542 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Cyanopyridine N-oxide14906-59-3 5-Hydroxypyridine-3-carbonitrile152803-24-2 3-Cyano-2-pyridone20577-27-9 2,1,3-Benzoxadiazole273-09-6 4-Isocyanatopyridine70067-45-7 2-Cyano-5-hydroxypyridine86869-14-9 3-Hydroxypyridine-2-carbonitrile932-35-4 1,6-Dihydro-6-oxo-3-pyridinecarbonitrile94805-52-4

Elsewhere

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