3-Bromo-2-chloro-5-nitro-6-picoline - CAS 856834-95-2

Catalog:	BB061930
Product Name:	3-Bromo-2-chloro-5-nitro-6-picoline
CAS:	856834-95-2
Synonyms:	3-Bromo-2-Chloro-6-Methyl-5-Nitropyridine; 3-Bromo-2-chloro-5-nitro-6-picoline; 6-picoline; 3-bromo-2-chloro-5-nitro-; 3-bromo-2-chloro-5-nitro- 6-picoline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-bromo-2-chloro-6-methyl-5-nitropyridine
Molecular Weight:	251.47
Molecular Formula:	C6H4BrClN2O2
Canonical SMILES:	CC1=NC(=C(C=C1[N+](=O)[O-])Br)Cl
InChI:	InChI=1S/C6H4BrClN2O2/c1-3-5(10(11)12)2-4(7)6(8)9-3/h2H,1H3
InChI Key:	WKGHUAZJNBXABN-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2021233371-A1	Compound functioning as bromodomain protein inhibitor, and composition	20200521
WO-2021195781-A1	Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use	20200401
WO-2021195782-A1	Methods of using myt1 inhibitors	20200401
US-2020361939-A1	Modulators of alpha-1 antitrypsin	20190514
WO-2020247160-A1	Condensed tryciclic pyrroles as alpha-1 antitrypsin modulators	20190514
TW-202108588-A	Modulators of alpha-1 antitrypsin	20190514
AU-2020286424-A1	Condensed tricyclic pyrroles as alpha-1 antitrypsin Modulators	20190514
CN-114096542-A	Condensed tricyclic pyrroles as alpha-1 antitrypsin modulators	20190514
WO-2020081257-A1	Modulators of alpha-1 antitrypsin	20181005
TW-202024091-A	Modulators of alpha-1 antitrypsin	20181005

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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:	58.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7