5-Bromo-4-chloro-3-nitro-2-pyridinamine

C₅H₃BrClN₃O₂CAS 942947-95-7252.45 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₅H₃BrClN₃O₂
Molar mass: 252.45 g/mol
Exact mass: 250.9097 Da
logP: 1.82Crippen estimate
Polar surface area: 82.8 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

942947-95-7

SMILES

N=c1[nH]cc(Br)c(Cl)c1[N+](=O)[O-]

InChIKey

BLGCPXIDEMLKMS-UHFFFAOYSA-N

InChI

InChI=1S/C5H3BrClN3O2/c6-2-1-9-5(8)4(3(2)7)10(11)12/h1H,(H2,8,9)

Weigh it out

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

Names and synonyms

3 names

2-Pyridinamine, 5-bromo-4-chloro-3-nitro-
2-Amino-5-bromo-4-chloro-3-nitropyridine
5-Bromo-4-chloro-3-nitropyridin-2-amine

Work with 5-Bromo-4-chloro-3-nitro-2-pyridinamine

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

5-Bromo-4-chloro-2,3-pyridinediamine1131604-99-350 % similar 5-Bromo-2-hydroxy-3-nitro-4-picoline228410-90-044 % similar 1-Bromo-2-chloro-3-nitrobenzene3970-37-444 % similar 4,6-Diamino-5-nitropyrimidine2164-84-342 % similar Pentachloronitrobenzene82-68-842 % similar 4-Benzyl-10,19-diethyl-4,10,19-triaza-1,7,13,16-tetraoxacycloheneicosane397864-11-841 % similar 3-Bromo-4-chloro-5-nitropyridine31872-63-641 % similar 1,2,4,5-Tetrachloro-3-nitrobenzene117-18-040 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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