5-Bromo-2-methyl-3-nitropyridine - CAS 911434-05-4

Catalog:	BB040056
Product Name:	5-Bromo-2-methyl-3-nitropyridine
CAS:	911434-05-4
Synonyms:	5-bromo-2-methyl-3-nitropyridine; 5-bromo-2-methyl-3-nitropyridine

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Computed Properties

IUPAC Name:	5-bromo-2-methyl-3-nitropyridine
Description:	5-Bromo-2-methyl-3-nitropyridine (CAS# 911434-05-4) is used as a reactant in the synthesis of MLN0905, a potent and orally bioavailable inhibitor of Polo-like kinase 1 (PLK1).
Molecular Weight:	217.02
Molecular Formula:	C6H5BrN2O2
Canonical SMILES:	CC1=NC=C(C=C1[N+](=O)[O-])Br
InChI:	InChI=1S/C6H5BrN2O2/c1-4-6(9(10)11)2-5(7)3-8-4/h2-3H,1H3
InChI Key:	FZZLWWNOYMHSIS-UHFFFAOYSA-N
Boiling Point:	253 °C
Density:	1.709 g/cm³
MDL:	MFCD09031419
LogP:	2.58390

Publication Number	Title	Priority Date
CN-111763170-A	Preparation method of flumatinib intermediate	20200710
US-2020360353-A1	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315
WO-2020190754-A1	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315
TW-202102495-A	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315
US-10973805-B2	Macrocyclic azolopyridine derivatives as EED and PRC2 modulators	20190315

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Related Functional Groups

Pyridines

[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[1202402-53-6]
2-[6-(Bromomethyl)-2-pyridyl]-2-propanol
[4926-28-7]
2-Bromo-4-methylpyridine
[1198098-45-1]
3-Allyl-5-methyl-1H-pyrrolo[2,3-b]pyridine
[7356-60-7]
3-Amidinopyridine Hydrochloride

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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:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.95344
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	215.95344
Rotatable Bond Count:	0
Topological Polar Surface Area:	58.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8