2-Bromo-5-fluoro-3-nitropyridine

C₅H₂BrFN₂O₂CAS 652160-72-0220.99 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₅H₂BrFN₂O₂
Molar mass: 220.99 g/mol
Exact mass: 219.9284 Da
logP: 1.89Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

652160-72-0

SMILES

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

InChIKey

XJFDIIHIXNIWQH-UHFFFAOYSA-N

InChI

InChI=1S/C5H2BrFN2O2/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-Bromo-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-Dibromo-3-nitropyridine15862-37-068 % similar 2-Bromo-5-chloro-3-nitropyridine75806-86-964 % similar 5-Fluoro-3-nitro-2(1H)-pyridinone136888-20-561 % similar 2-Chloro-5-fluoro-3-nitropyridine136888-21-661 % similar 5-Fluoro-3-nitropyridin-2-amine212268-12-761 % similar 2-Bromo-3-nitropyridine19755-53-451 % similar 1-Bromo-4-fluoro-2-nitrobenzene446-09-351 % similar 2,3-Dibromo-5-nitropyridine15862-36-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-3-bromo-5-nitro pyridine1868-58-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook