2-Cyano-4-nitropyridine

C₆H₃N₃O₂CAS 19235-88-2149.11 g/mol

Open in Covalent MOL file

Nitrile Nitro

Properties

Molecular formula: C₆H₃N₃O₂
Molar mass: 149.11 g/mol
Exact mass: 149.0225 Da
logP: 0.86Crippen estimate
Polar surface area: 79.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed97.6% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

19235-88-2

SMILES

C1=CN=C(C=C1[N+](=O)[O-])C#N

InChIKey

ONDDYTHSSNTDLR-UHFFFAOYSA-N

InChI

InChI=1S/C6H3N3O2/c7-4-5-3-6(9(10)11)1-2-8-5/h1-3H

Weigh it out

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

Names and synonyms

1 names

4-Nitropyridine-2-carbonitrile

Work with 2-Cyano-4-nitropyridine

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-Methyl-4-nitropyridine13508-96-854 % similar 2-Fluoro-4-nitropyridine18614-46-554 % similar 2-Chloro-4-nitropyridine23056-36-254 % similar 4-Nitrophthalonitrile31643-49-954 % similar 4-Nitro-pyridin-2-ylamine4487-50-754 % similar 4-Nitro-2(1H)-pyridinone4487-51-854 % similar 2-Bromo-4-nitropyridine6945-67-154 % similar 2,4-Pyridinedicarbonitrile29181-50-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Cyano-5-nitropyridine100367-55-3 2-Cyano-3-nitropyridine51315-07-2

Elsewhere

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