chempirical

2-Methyl-8-nitroquinoline

C10H8N2O2CAS 881-07-2188.19 g/mol

Open in Covalent MOL file
N+OO−N
Nitro

Properties

Molecular formula
C10H8N2O2
Molar mass
188.19 g/mol
Exact mass
188.0586 Da
Melting point
139–141 °C
logP
2.45Crippen estimate
Polar surface area
56.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
881-07-2
SMILES
Cc1ccc2cccc([N+](=O)[O-])c2n1
InChIKey
UHPGVDHXHDPYQP-UHFFFAOYSA-N
InChI
InChI=1S/C10H8N2O2/c1-7-5-6-8-3-2-4-9(12(13)14)10(8)11-7/h2-6H,1H3

Weigh it out

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

Names and synonyms

5 names
  • Quinoline, 2-methyl-8-nitro-
  • Quinaldine, 8-nitro-
  • 8-Nitroquinaldine
  • NSC 163380
  • 8-Nitro-2-methylquinoline

Work with 2-Methyl-8-nitroquinoline

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

8-Nitroquinoline607-35-258 % similar 2,6-Dimethyl-3-nitropyridine15513-52-755 % similar 2-Fluoro-6-methyl-3-nitropyridine19346-45-353 % similar 2-Bromo-6-methyl-3-nitropyridine374633-31-553 % similar 2,8-Dimethylquinoline1463-17-851 % similar 7-Nitroindazole2942-42-951 % similar 2-Methoxy-6-methyl-3-nitropyridine112163-03-850 % similar 8-Aminoquinaldine18978-78-450 % similar

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

Same formula

4-(1H-Pyrazol-4-yl)benzoic acid1017794-47-6 4-(1H-Imidazol-2-yl)benzoic Acid108035-45-6 3-(1H-Imidazol-1-yl)benzoic acid108035-47-8 5-Phenyl-1H-pyrazole-3-carboxylic acid1134-49-2 1-Phenyl-1H-pyrazole-4-carboxylic acid1134-50-5 3-(4-Hydroxyphenyl)-2(1H)-pyrazinone126247-63-0 N-(4-Aminophenyl)maleimide29753-26-2 M-Xylylene diisocyanate3634-83-1

Elsewhere

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