5-Bromo-2-hydroxy-4-methyl-3-nitropyridine - CAS 228410-90-0

Name: 5-Bromo-2-hydroxy-4-methyl-3-nitropyridine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB017768
Product Name:	5-Bromo-2-hydroxy-4-methyl-3-nitropyridine
CAS:	228410-90-0
Synonyms:	5-bromo-4-methyl-3-nitro-1H-pyridin-2-one; 5-bromo-4-methyl-3-nitro-1H-pyridin-2-one

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-4-methyl-3-nitro-1H-pyridin-2-one
Description:	5-Bromo-2-hydroxy-4-methyl-3-nitropyridine (CAS# 228410-90-0) is a useful research chemical.
Molecular Weight:	233.02
Molecular Formula:	C6H5BrN2O3
Canonical SMILES:	CC1=C(C(=O)NC=C1Br)[N+](=O)[O-]
InChI:	InChI=1S/C6H5BrN2O3/c1-3-4(7)2-8-6(10)5(3)9(11)12/h2H,1H3,(H,8,10)
InChI Key:	QXPNHVCGSASGIX-UHFFFAOYSA-N
Boiling Point:	298.2 °C at 760 mmHg
Density:	1.84 g/cm³
LogP:	2.28950

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Related Functional Groups

Pyridines

[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[942206-23-7]C5H2Cl2IN
2,5-Dichloro-3-iodopyridine
[4926-28-7]C6H6BrN
2-Bromo-4-methylpyridine
[267242-99-9]C9H10ClN
2-Chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
[63585-69-3]C6H7ClN2O2
2-Methyl-3-nitropyridine Hydrochloride
[2122800-15-9]C16H19N2D
3-(Phenyl-4-D)-N,N-dimethyl-3-(2-pyridyl)-1-propanamine

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021144440-A1	Quinoxaline derivatives as modulators of the glucocorticoid receptor	20200117
CN-112625036-A	Compound with BRD4 inhibitory activity, preparation method and application thereof	20191008
WO-2020108579-A1	Amino-substituted pyridone derivative, preparation method therefor, and pharmaceutical use thereof	20181128
CN-111712490-A	Amino-substituted pyridone derivatives, preparation method and medical application thereof	20181128
WO-2019126733-A1	Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors	20171222

Complexity:	313
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.94835
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	231.94835
Rotatable Bond Count:	0
Topological Polar Surface Area:	74.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6