5-bromo-6-chloronicotinic acid - CAS 29241-62-1

Name: 5-bromo-6-chloronicotinic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB020143
Product Name:	5-bromo-6-chloronicotinic acid
CAS:	29241-62-1
Synonyms:	5-bromo-6-chloro-3-pyridinecarboxylic acid; 5-bromo-6-chloropyridine-3-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-bromo-6-chloropyridine-3-carboxylic acid
Description:	5-bromo-6-chloronicotinic acid (CAS# 29241-62-1) is a useful research chemical.
Molecular Weight:	236.45
Molecular Formula:	C6H3BrClNO2
Canonical SMILES:	C1=C(C=NC(=C1Br)Cl)C(=O)O
InChI:	InChI=1S/C6H3BrClNO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H,10,11)
InChI Key:	DXEUARPQHJXMII-UHFFFAOYSA-N
Boiling Point:	370 °C at 760 mmHg
Melting Point:	166-168 °C
Purity:	95 %
Density:	1.917 g/cm³
Appearance:	White solid
MDL:	MFCD01927098
LogP:	2.19570

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[17746-05-3]C11H21ClO
Undecanoyl chloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride

GHS Hazard Statement:	H302 (88.64%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021151014-A1	Pgdh inhibitors and methods of making and using	20200123
WO-2021143927-A1	Compound acting as bcr-abl inhibitor	20200119
US-2020297725-A1	Allosteric bcr-abl proteolysis targeting chimeric compounds	20190322
WO-2020192562-A1	Substituted heterocyclic amide compound and preparation method therefor and pharmaceutical use thereof	20190322
WO-2020198055-A1	Allosteric bcr-abl proteolysis targeting chimeric compounds	20190322

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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2