chempirical

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

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 2,2′-Dithiobis[5-nitropyridine]2127-10-853 % similar 2-Bromo-5-nitropyridine4487-59-653 % similar 2-Fluoro-5-nitropyridine456-24-653 % similar 5-Nitro-2(1H)-pyridinone5418-51-953 % similar 4-Nitrophthalonitrile31643-49-951 % similar 6-Methoxy-3-nitropyridine5446-92-449 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook