3-Bromo-5-nitropyridine

C₅H₃BrN₂O₂CAS 15862-30-3203.00 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₅H₃BrN₂O₂
Molar mass: 203.00 g/mol
Exact mass: 201.9378 Da
Melting point: 167.5–168 °C
logP: 1.75Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed88.9% of notifiers
H302 Harmful if swallowed11.1% of notifiers
H312 Harmful in contact with skin11.1% of notifiers
H315 Causes skin irritation11.1% of notifiers
H318 Causes serious eye damage88.9% of notifiers
H319 Causes serious eye irritation11.1% of notifiers
H335 May cause respiratory irritation11.1% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

15862-30-3

SMILES

O=[N+]([O-])c1cncc(Br)c1

InChIKey

WHYJVHQKKJHXTB-UHFFFAOYSA-N

InChI

InChI=1S/C5H3BrN2O2/c6-4-1-5(8(9)10)3-7-2-4/h1-3H

Weigh it out

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

Names and synonyms

1 names

Pyridine, 3-bromo-5-nitro-

Work with 3-Bromo-5-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

1-Bromo-3,5-dinitrobenzene18242-39-262 % similar 3,5-Dibromonitro benzene6311-60-062 % similar 1-Bromo-3-nitrobenzene585-79-555 % similar 1-Bromo-3-fluoro-5-nitrobenzene7087-65-253 % similar 1-Bromo-4-nitrobenzene586-78-752 % similar 1-Bromo-3-chloro-5-nitrobenzene219817-43-351 % similar 2,3-Dibromo-5-nitropyridine15862-36-950 % similar 2,5-Dibromo-3-nitropyridine15862-37-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-3-nitropyridine19755-53-4 2-Bromo-6-nitropyridine21203-78-1 5-Bromopyrimidine-2-carboxylic acid37131-87-6 5-Bromo-2-nitropyridine39856-50-3 2-Bromo-5-nitropyridine4487-59-6 3-Bromo-2-nitropyridine54231-33-3 2-Bromo-4-nitropyridine6945-67-1 5-Bromo-2-pyrazinecarboxylic acid876161-05-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook