chempirical

2-Methyl-3-nitropyridine hydrochloride

C6H7ClN2O2CAS 63585-69-3174.58 g/mol

Open in Covalent MOL file
NN+OO−HCl
Nitro

Properties

Molecular formula
C6H7ClN2O2
Molar mass
174.58 g/mol
Exact mass
174.0196 Da
logP
1.72Crippen 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
63585-69-3
SMILES
CC1=C(C=CC=N1)[N+](=O)[O-].Cl
InChIKey
ZLRKGYBGDBXGKS-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O2.ClH/c1-5-6(8(9)10)3-2-4-7-5;/h2-4H,1H3;1H

Weigh it out

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Work with 2-Methyl-3-nitropyridine hydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Methyl-3-nitropyridine18699-87-1Free base

Similar compounds

2-Methoxy-3-nitropyridine20265-35-458 % similar 2,3-Dimethyl-4-nitropyridine68707-69-757 % similar 2-Fluoro-3-nitropyridine1480-87-154 % similar 3-Methyl-2-nitropyridine18368-73-554 % similar 2-Bromo-3-nitropyridine19755-53-454 % similar 2-Chloro-3-nitropyridine34515-82-754 % similar 3-Nitro-2(1H)-pyridinethione38240-29-854 % similar 2-Amino-3-nitropyridine4214-75-954 % similar

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

Same formula

4-Aminopyridine-2-carboxylic acid hydrochloride1291487-29-0 2-Chloro-4,6-dimethoxypyrimidine13223-25-1 4-Chloro-2,6-dimethoxypyrimidine6320-15-6 6-Chloro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione6972-27-6

Elsewhere

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