2-Chloro-6-methyl-3-nitropyridine

C₆H₅ClN₂O₂CAS 56057-19-3172.57 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₅ClN₂O₂
Molar mass: 172.57 g/mol
Exact mass: 172.0040 Da
logP: 1.95Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed20% of notifiers
H302 Harmful if swallowed40% of notifiers
H311 Toxic in contact with skin20% of notifiers
H312 Harmful in contact with skin40% of notifiers
H315 Causes skin irritation80% of notifiers
H319 Causes serious eye irritation80% of notifiers
H331 Toxic if inhaled20% of notifiers
H332 Harmful if inhaled40% of notifiers
H335 May cause respiratory irritation60% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

56057-19-3

SMILES

CC1=NC(=C(C=C1)[N+](=O)[O-])Cl

InChIKey

UIEVSGOVFXWCIK-UHFFFAOYSA-N

InChI

InChI=1S/C6H5ClN2O2/c1-4-2-3-5(9(10)11)6(7)8-4/h2-3H,1H3

Weigh it out

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

Names and synonyms

1 names

2-Chloro-3-nitro-6-methylpyridine

Work with 2-Chloro-6-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

2,6-Dimethyl-3-nitropyridine15513-52-765 % similar 2,6-Dichloro-3-nitropyridine16013-85-765 % similar 2-Fluoro-6-methyl-3-nitropyridine19346-45-361 % similar 2-Amino-3-nitro-6-picoline21901-29-161 % similar 2-Bromo-6-methyl-3-nitropyridine374633-31-561 % similar 2-Chloro-6-methoxy-3-nitropyridine38533-61-861 % similar 2-Methoxy-6-methyl-3-nitropyridine112163-03-858 % similar 2,6-Dichloro-3-methyl-5-nitropyridine58596-88-657 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 6-chloropyridazine-4-carboxylate1093860-48-0 5-Chloro-2-methyl-3-nitropyridine1211533-93-5 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

Elsewhere

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