chempirical

4-Chloro-2,6-dimethyl-3-nitropyridine

C7H7ClN2O2CAS 15513-48-1186.60 g/mol

Open in Covalent MOL file
NN+OO−Cl
Aryl halideNitro

Properties

Molecular formula
C7H7ClN2O2
Molar mass
186.60 g/mol
Exact mass
186.0196 Da
logP
2.26Crippen 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
15513-48-1
SMILES
CC1=CC(=C(C(=N1)C)[N+](=O)[O-])Cl
InChIKey
PSBGFLWVQDGETK-UHFFFAOYSA-N
InChI
InChI=1S/C7H7ClN2O2/c1-4-3-6(8)7(10(11)12)5(2)9-4/h3H,1-2H3

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Work with 4-Chloro-2,6-dimethyl-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

2,4-Dichloro-6-methyl-3-nitropyridine63897-12-172 % similar 2,4-Dichloro-6-methyl-5-nitropyrimidine13162-26-054 % similar 2,6-Dimethyl-3-nitropyridine15513-52-753 % similar 2,4,6-Trichloronitrobenzene18708-70-850 % similar 1,3,5-Trichloro-2,4-dinitrobenzene6284-83-950 % similar 3-Bromo-2-chloro-6-methyl-5-nitropyridine856834-95-249 % similar 1-Chloro-3-methyl-2-nitrobenzene5367-26-049 % similar 1,3-Dichloro-2-nitrobenzene601-88-749 % similar

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

Same formula

5-Chloro-2-methyl-4-nitrobenzenamine13852-51-2 Methyl 3-amino-2-chloroisonicotinate173435-41-1 4-Chloro-2-methyl-6-nitroaniline62790-50-5 2-Chloro-6-methyl-4-nitrobenzenamine69951-02-6 5-Chloro-4-methyl-2-nitrobenzenamine7149-80-6 Ethyl 6-chloro-3-pyridazinecarboxylate75680-92-1 Methyl 5-chloro-6-methylpyrazine-2-carboxylate77168-85-5 2-Chloro-5-(ethoxycarbonyl)pyrimidine89793-12-4

Elsewhere

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