5-Chloro-2-methyl-3-nitropyridine

C6H5ClN2O2CAS 1211533-93-5172.57 g/mol

Open in Covalent MOL file
NClN+OO−
Aryl halideNitro

Properties

Molecular formula
C6H5ClN2O2
Molar mass
172.57 g/mol
Exact mass
172.0040 Da
logP
1.95Crippen estimate
Polar surface area
56.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1211533-93-5
SMILES
CC1=C(C=C(C=N1)Cl)[N+](=O)[O-]
InChIKey
YEJGWUTXWBGOPG-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClN2O2/c1-4-6(9(10)11)2-5(7)3-8-4/h2-3H,1H3

Weigh it out

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

Work with 5-Chloro-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

2,5-Dichloro-3-nitropyridine21427-62-366 % similar 2-Amino-5-chloro-3-nitropyridine409-39-262 % similar 2-Amino-5-chloro-3-nitropyridine5409-39-262 % similar 5-Chloro-2-fluoro-3-nitropyridine60186-16-562 % similar 2-Bromo-5-chloro-3-nitropyridine75806-86-962 % similar 5-Bromo-2-methyl-3-nitropyridine911434-05-462 % similar 5-Chloro-3-nitropyridine-2-carbonitrile181123-11-557 % similar 3,5-Dichloro-2-nitropyridine610278-88-157 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 6-chloropyridazine-4-carboxylate1093860-48-0 2-Chloro-4-nitroaniline121-87-9 Methyl 2-chloropyrimidine-4-carboxylate149849-94-5 5-Chloro-2-nitroaniline1635-61-6 2-Chloro-3-methyl-5-nitropyridine22280-56-4 6-Chloro-2-methyl-3-nitropyridine22280-60-0 2-Chloro-4-methyl-5-nitropyridine23056-33-9 2-Chloro-4-methyl-3-nitropyridine23056-39-5

Elsewhere

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