5-Bromo-2-hydroxy-3-nitro-4-picoline

C₆H₅BrN₂O₃CAS 228410-90-0233.02 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₅BrN₂O₃
Molar mass: 233.02 g/mol
Exact mass: 231.9484 Da
logP: 1.35Crippen estimate
Polar surface area: 76.0 Å²
H-bond donors / acceptors: 1 / 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
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+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

228410-90-0

SMILES

CC1=C(C(=O)NC=C1Br)[N+](=O)[O-]

InChIKey

QXPNHVCGSASGIX-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BrN2O3/c1-3-4(7)2-8-6(10)5(3)9(11)12/h2H,1H3,(H,8,10)

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Names and synonyms

1 names

5-Bromo-2-hydroxy-4-methyl-3-nitropyridine

Work with 5-Bromo-2-hydroxy-3-nitro-4-picoline

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-Hydroxy-4-methyl-3-nitropyridine21901-18-849 % similar 2-Amino-5-bromo-4-methyl-3-nitropyridine100367-40-648 % similar 5-Bromo-2-chloro-4-methyl-3-nitropyridine884495-15-248 % similar 5-Bromo-2-methoxy-4-methyl-3-nitropyridine884495-14-146 % similar 2-Hydroxy-5-methyl-3-nitropyridine7464-14-445 % similar 5-Bromo-4-chloro-3-nitro-2-pyridinamine942947-95-744 % similar 1,2,4,5-Tetramethyl-3,6-dinitrobenzene5465-13-444 % similar 3-Bromo-2-nitrotoluene52414-97-844 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-2-methoxy-3-nitropyridine152684-30-5 3-Bromo-2-methoxy-5-nitropyridine15862-50-7 2-Bromo-6-methoxy-3-nitropyridine344296-05-5 2-Bromo-3-methoxy-6-nitropyridine76066-07-4

Elsewhere

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