5-Bromo-2-methoxy-3-nitropyridine - CAS 152684-30-5

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

Catalog:	BB010811
Product Name:	5-Bromo-2-methoxy-3-nitropyridine
CAS:	152684-30-5
Synonyms:	5-bromo-2-methoxy-3-nitropyridine

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Computed Properties

IUPAC Name:	5-bromo-2-methoxy-3-nitropyridine
Description:	5-Bromo-2-methoxy-3-nitropyridine (CAS# 152684-30-5) is a useful research chemical.
Molecular Weight:	233.02
Molecular Formula:	C6H5BrN2O3
Canonical SMILES:	COC1=NC=C(C=C1[N+](=O)[O-])Br
InChI:	InChI=1S/C6H5BrN2O3/c1-12-6-5(9(10)11)2-4(7)3-8-6/h2-3H,1H3
InChI Key:	YRVHFGOAEVWBNS-UHFFFAOYSA-N
Boiling Point:	281.982 °C at 760 mmHg
Purity:	98 %
Density:	1.73 g/cm³
MDL:	MFCD07374968
LogP:	2.28410

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Related Functional Groups

Pyridines

[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[14993-80-7]C8H8N2
2-(6-Methylpyridin-2-yl)acetonitrile
[942206-23-7]C5H2Cl2IN
2,5-Dichloro-3-iodopyridine
[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
[643762-61-2]C6H4Br2FN
3-Bromo-2-(bromomethyl)-6-fluoropyridine

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GHS Hazard Statement:	H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
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WO-2020108579-A1	Amino-substituted pyridone derivative, preparation method therefor, and pharmaceutical use thereof	20181128
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KR-20200043434-A	Quinoxaline derivatives as adenosine receptor antagonists	20170821

Complexity:	173
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:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	231.94835
Rotatable Bond Count:	1
Topological Polar Surface Area:	67.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7