chempirical

2-Methyl-5-nitropyridine

C6H6N2O2CAS 21203-68-9138.13 g/mol

Open in Covalent MOL file
NN+OO−
Nitro

Properties

Molecular formula
C6H6N2O2
Molar mass
138.13 g/mol
Exact mass
138.0429 Da
logP
1.30Crippen estimate
Polar surface area
56.0 Ų
H-bond donors / acceptors
0 / 3
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
21203-68-9
SMILES
CC1=NC=C(C=C1)[N+](=O)[O-]
InChIKey
USZINSZJSVMICC-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O2/c1-5-2-3-6(4-7-5)8(9)10/h2-4H,1H3

Weigh it out

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

Work with 2-Methyl-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

2-Chloro-5-nitropyridine4548-45-259 % similar 2,2′-Dithiobis[5-nitropyridine]2127-10-858 % similar 6-Iodo-3-nitropyridine28080-54-858 % similar 2-Bromo-5-nitropyridine4487-59-658 % similar 2-Fluoro-5-nitropyridine456-24-658 % similar 5-Nitro-2(1H)-pyridinone5418-51-958 % similar 6-Methoxy-3-nitropyridine5446-92-457 % similar 2-Cyano-5-nitropyridine100367-55-353 % similar

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

Same formula

4-Nitroaniline100-01-6 4-Aminopicolinic acid100047-36-7 Urocanic acid104-98-3 Benzoquinone dioxime105-11-3 5-Methyl-2-nitropyridine1074-38-0 2-Aminopyridine-4-carboxylic acid13362-28-2 2-Methyl-4-nitropyridine13508-96-8 2-Methyl-4-pyrimidinecarboxylic acid13627-49-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook