chempirical

2-Cyano-3-nitropyridine

C6H3N3O2CAS 51315-07-2149.11 g/mol

Open in Covalent MOL file
NNN+OO−
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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
51315-07-2
SMILES
C1=CC(=C(N=C1)C#N)[N+](=O)[O-]
InChIKey
OLXPGXMJZQJQHT-UHFFFAOYSA-N
InChI
InChI=1S/C6H3N3O2/c7-4-5-6(9(10)11)2-1-3-8-5/h1-3H

Weigh it out

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

Work with 2-Cyano-3-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

2,6-Dinitrobenzonitrile35213-00-457 % similar 2-Nitrobenzonitrile612-24-857 % similar 6-Chloro-3-nitropyridine-2-carbonitrile93683-65-955 % similar 2-Fluoro-3-nitropyridine1480-87-154 % similar 2-Methyl-3-nitropyridine18699-87-154 % similar 2-Bromo-3-nitropyridine19755-53-454 % similar 2-Chloro-3-nitropyridine34515-82-754 % similar 3-Nitro-2(1H)-pyridinethione38240-29-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Cyano-5-nitropyridine100367-55-3 2-Cyano-4-nitropyridine19235-88-2

Elsewhere

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