6-Bromo-2-chloronicotinic acid - CAS 1060815-67-9

Catalog:	BB001801
Product Name:	6-Bromo-2-chloronicotinic acid
CAS:	1060815-67-9
Synonyms:	6-bromo-2-chloropyridine-3-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	6-bromo-2-chloropyridine-3-carboxylic acid
Description:	6-Bromo-2-chloronicotinic Acid can be used in the preparation of aminopyridyl carboxylates from halopyridyl carboxylates via regioselective copper(I)-catalyzed Ullmann amination using sodium azide.
Molecular Weight:	236.45
Molecular Formula:	C6H3BrClNO2
Canonical SMILES:	C1=CC(=NC(=C1C(=O)O)Cl)Br
InChI:	InChI=1S/C6H3BrClNO2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2H,(H,10,11)
InChI Key:	CSHIGVLXOXJJMY-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD11857719
LogP:	2.19570

Publication Number	Title	Priority Date
WO-2021030556-A1	Modulators of cystic fibrosis transmembrane conductance regulator	20190814
AU-2007338321-A1	Amino nicotinic and isonicotinic acid derivatives as DHODH inhibitors	20061222
AU-2007338321-B2	Amino nicotinic and isonicotinic acid derivatives as DHODH inhibitors	20061222
CA-2674512-A1	Amino nicotinic and isonicotinic acid derivatives as dhodh inhibitors	20061222
CA-2674512-C	Amino nicotinic and isonicotinic acid derivatives as dhodh inhibitors	20061222

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Related Functional Groups

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Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.90357
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	234.90357
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4