5-Bromo-2-nitropyridine - CAS 39856-50-3

Catalog:	BB024161
Product Name:	5-Bromo-2-nitropyridine
CAS:	39856-50-3
Synonyms:	Pyridine, 5-bromo-2-nitro-; 2-Nitro-5-bromopyridine; 3-Bromo-6-nitropyridine

Technical Data

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Literatures

Computed Properties

IUPAC Name:	5-bromo-2-nitropyridine
Molecular Weight:	202.99
Molecular Formula:	C5H3BrN2O2
Canonical SMILES:	C1=CC(=NC=C1Br)[N+](=O)[O-]
InChI:	InChI=1S/C5H3BrN2O2/c6-4-1-2-5(7-3-4)8(9)10/h1-3H
InChI Key:	ATXXLNCPVSUCNK-UHFFFAOYSA-N
Boiling Point:	292.3±20.0°C at 760 mmHg
Melting Point:	149.5-150°C
Purity:	≥95%
Density:	1.833±0.06 g/cm3
Solubility:	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance:	Pale Yellow Solid
Storage:	Store at 2-8°C
MDL:	MFCD00160411
LogP:	2.27550

Publication Number	Title	Priority Date
CN-113354630-A	5, 6-dihydrobenzo [ h ] quinazoline compound and application thereof	20210630
CN-113248500-A	Azaindolopyrimidineamine heterocyclic compounds, and preparation method and application thereof	20210610
CN-113248500-B	Azaindolopyrimidineamine heterocyclic compounds, and preparation method and application thereof	20210610
CN-113264920-A	CDK6 inhibitor of pyrimidine benzo six-membered ring parent nucleus and preparation method and application thereof	20210510
CN-113149978-A	Intermediate compound, preparation method and application thereof	20210204

PMID	Publication Date	Title	Journal
16165042	20051001	FT-Raman and FT-IR spectra, vibrational assignments and density functional studies of 5-bromo-2-nitropyridine	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

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Related Functional Groups

Pyridines

[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1951441-75-0]
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[1261365-99-4]
2,5-Dichloro-6-(hydroxymethyl)pyridin-3-ol
[856848-33-4]
2-Amino-4,5-dibromopyridine
[1198098-45-1]
3-Allyl-5-methyl-1H-pyrrolo[2,3-b]pyridine

GHS Hazard Statement:	H315 (100%): 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

Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.93779
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	201.93779
Rotatable Bond Count:	0
Topological Polar Surface Area:	58.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7