2-Cyano-5-nitropyridine

C6H3N3O2CAS 100367-55-3149.11 g/mol

Open in Covalent MOL file
NN+OO−N
NitrileNitro

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 38 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
100367-55-3
SMILES
C1=CC(=NC=C1[N+](=O)[O-])C#N
InChIKey
YZDHDHMJKCKESU-UHFFFAOYSA-N
InChI
InChI=1S/C6H3N3O2/c7-3-5-1-2-6(4-8-5)9(10)11/h1-2,4H

Weigh it out

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

Work with 2-Cyano-5-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

4-Nitrobenzonitrile619-72-756 % similar 2-Chloro-5-nitropyridine4548-45-254 % similar 2-Methyl-5-nitropyridine21203-68-953 % similar 2,2'-Dithiobis(5-nitropyridine)2127-10-853 % similar 6-Iodo-3-nitropyridine28080-54-853 % similar 2-Bromo-5-nitropyridine4487-59-653 % similar 2-Fluoro-5-nitropyridine456-24-653 % similar 5-Nitro-2(1H)-pyridinone5418-51-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Cyano-4-nitropyridine19235-88-2 2-Cyano-3-nitropyridine51315-07-2

Elsewhere

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