chempirical

5-Methyl-2-nitropyridine

C6H6N2O2CAS 1074-38-0138.13 g/mol

Open in Covalent MOL file
N+OO−N
Nitro

Properties

Molecular formula
C6H6N2O2
Molar mass
138.13 g/mol
Exact mass
138.0429 Da
Melting point
94–95 °C
logP
1.30Crippen estimate
Polar surface area
56.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
1074-38-0
SMILES
Cc1ccc([N+](=O)[O-])nc1
InChIKey
FISOVIVSROCTBV-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O2/c1-5-2-3-6(7-4-5)8(9)10/h2-4H,1H3

Weigh it out

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

Names and synonyms

5 names
  • Pyridine, 5-methyl-2-nitro-
  • 3-Picoline, 6-nitro-
  • 2-Nitro-5-picoline
  • NSC 80299
  • 3-Methyl-6-nitropyridine

Work with 5-Methyl-2-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

5-Bromo-2-nitropyridine39856-50-358 % similar 4-Methyl-2-nitropyridine18368-71-356 % similar 4-Nitrotoluene99-99-052 % similar 2-Chloro-5-methyl-3-nitropyridine23056-40-847 % similar 3,4-Dinitrotoluene610-39-947 % similar 2-Fluoro-4-methyl-1-nitrobenzene446-34-446 % similar 1,4-Dimethyl-2-nitrobenzene89-58-744 % similar 4-Nitro-M-xylene89-87-244 % 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 2-Aminopyridine-4-carboxylic acid13362-28-2 2-Methyl-4-nitropyridine13508-96-8 3-Aminopicolinic acid1462-86-8 3-Methyl-4-nitropyridine1678-53-1

Elsewhere

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