2,6-Dibromoisonicotinic Acid - CAS 2016-99-1

Catalog:	BB015684
Product Name:	2,6-Dibromoisonicotinic Acid
CAS:	2016-99-1
Synonyms:	2,6-dibromo-4-pyridinecarboxylic acid; 2,6-dibromopyridine-4-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	2,6-dibromopyridine-4-carboxylic acid
Description:	2,6-Dibromoisonicotinic Acid (CAS# 2016-99-1) is an analog of 2,6-Dichloroisonicotinic acid which binds and inhibits tobacco catalase activity.
Molecular Weight:	280.90
Molecular Formula:	C6H3Br2NO2
Canonical SMILES:	C1=C(C=C(N=C1Br)Br)C(=O)O
InChI:	InChI=1S/C6H3Br2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2H,(H,10,11)
InChI Key:	AULQTVXAKNKCCA-UHFFFAOYSA-N
Boiling Point:	487.5 °C at 760 mmHg
Density:	2.202 g/cm³
MDL:	MFCD09743987
LogP:	2.30480

Publication Number	Title	Priority Date
CN-110818629-A	Method for synthesizing fluoroisonicotinic acid derivative	20191205
WO-2021086879-A1	Compounds and methods of use	20191028
WO-2020263703-A1	Enhancement of nucleic acid polymerization by aromatic compounds	20190626
WO-2020249652-A1	Pyridyl or pyrimidyl mtor kinase inhibitors	20190613
US-11077101-B1	Compounds and methods of use	20180718

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Related Functional Groups

Carbonyl Compounds

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[1427004-19-0]
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[1035840-45-9]
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[832741-29-4]
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[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

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GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	280.85100
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	278.85305
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4