3-Bromo-2-chloro-4-methyl-5-nitropyridine - CAS 1049706-73-1

Catalog:	BB001531
Product Name:	3-Bromo-2-chloro-4-methyl-5-nitropyridine
CAS:	1049706-73-1
Synonyms:	3-bromo-2-chloro-4-methyl-5-nitropyridine; 3-bromo-2-chloro-4-methyl-5-nitropyridine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-bromo-2-chloro-4-methyl-5-nitropyridine
Description:	3-Bromo-2-chloro-4-methyl-5-nitropyridine (CAS# 1049706-73-1) is a useful research chemical.
Molecular Weight:	251.47
Molecular Formula:	C6H4BrClN2O2
Canonical SMILES:	CC1=C(C(=NC=C1[N+](=O)[O-])Cl)Br
InChI:	InChI=1S/C6H4BrClN2O2/c1-3-4(10(11)12)2-9-6(8)5(3)7/h2H,1H3
InChI Key:	QGEFBUJRBVNTFX-UHFFFAOYSA-N
LogP:	3.23730

Publication Number	Title	Priority Date
WO-2020216190-A1	Quinazoline compound and pharmaceutical application thereof	20190422
WO-2019126082-A1	6-azaindole compounds	20171219
AU-2018390543-A1	6-azaindole compounds	20171219
BR-112020011788-A2	6-azaindole compounds	20171219
CN-111699185-A	6-azaindole compounds	20171219

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	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, and P501
Signal Word:	Warning

Complexity:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	249.91447
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	249.91447
Rotatable Bond Count:	0
Topological Polar Surface Area:	58.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7