2-Chloro-3-nitro-5-(trifluoromethyl)pyridine

C₆H₂ClF₃N₂O₂CAS 72587-15-6226.54 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitro

Properties

Molecular formula: C₆H₂ClF₃N₂O₂
Molar mass: 226.54 g/mol
Exact mass: 225.9757 Da
logP: 2.66Crippen 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
H315 Causes skin irritation60% of notifiers
H317 May cause an allergic skin reaction20% of notifiers
H319 Causes serious eye irritation60% of notifiers
H331 Toxic if inhaled20% of notifiers
H335 May cause respiratory irritation40% 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, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

72587-15-6

SMILES

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

InChIKey

DRPIKFKCAJGTJF-UHFFFAOYSA-N

InChI

InChI=1S/C6H2ClF3N2O2/c7-5-4(12(13)14)1-3(2-11-5)6(8,9)10/h1-2H

Weigh it out

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

Work with 2-Chloro-3-nitro-5-(trifluoromethyl)pyridine

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

3-Nitro-5-(trifluoromethyl)-2(1H)-pyridinone33252-64-165 % similar 2-Chloro-5-fluoro-3-nitropyridine136888-21-663 % similar 2,5-Dichloro-3-nitropyridine21427-62-361 % similar 2-Chloro-3,5-dinitropyridine2578-45-261 % similar 4-Chloro-3,5-dinitrobenzotrifluoride393-75-961 % similar 2-Chloro-5-methyl-3-nitropyridine23056-40-857 % similar 2-Chloro-5-iodo-3-nitropyridine426463-05-057 % similar 5-Bromo-2-chloro-3-nitropyridine67443-38-357 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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