2-Chloro-5-fluoro-3-nitropyridine

C₅H₂ClFN₂O₂CAS 136888-21-6176.53 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₅H₂ClFN₂O₂
Molar mass: 176.53 g/mol
Exact mass: 175.9789 Da
logP: 1.78Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled25% of notifiers
H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

136888-21-6

SMILES

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

InChIKey

SVVZGNAZMPSGMU-UHFFFAOYSA-N

InChI

InChI=1S/C5H2ClFN2O2/c6-5-4(9(10)11)1-3(7)2-8-5/h1-2H

Weigh it out

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

Work with 2-Chloro-5-fluoro-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-nitropyridine21427-62-368 % similar 2-Chloro-3,5-dinitropyridine2578-45-268 % similar 2-Chloro-5-methyl-3-nitropyridine23056-40-864 % similar 2-Chloro-5-iodo-3-nitropyridine426463-05-064 % similar 5-Bromo-2-chloro-3-nitropyridine67443-38-364 % similar 2-Chloro-3-nitro-5-(trifluoromethyl)pyridine72587-15-663 % similar 5-Fluoro-3-nitro-2(1H)-pyridinone136888-20-561 % similar 5-Fluoro-3-nitropyridin-2-amine212268-12-761 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-3-fluoro-5-nitropyridine1079179-12-6 5-Chloro-2-fluoro-3-nitropyridine60186-16-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook