chempirical

2-Methyl-3-nitropyridine

C6H6N2O2CAS 18699-87-1138.13 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

Identifiers

CAS number
18699-87-1
SMILES
CC1=C(C=CC=N1)[N+](=O)[O-]
InChIKey
CCFGTKQIRWHYTB-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O2/c1-5-6(8(9)10)3-2-4-7-5/h2-4H,1H3

Weigh it out

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

Work with 2-Methyl-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-Methoxy-3-nitropyridine20265-35-463 % similar 2-Fluoro-3-nitropyridine1480-87-159 % similar 3-Methyl-2-nitropyridine18368-73-559 % similar 2-Bromo-3-nitropyridine19755-53-459 % similar 2-Chloro-3-nitropyridine34515-82-759 % similar 3-Nitro-2(1H)-pyridinethione38240-29-859 % similar 2-Amino-3-nitropyridine4214-75-959 % similar 2-Chloro-3-nitropyridine5470-18-859 % 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

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