Methyl 5-Bromo-6-iodonicotinate - CAS 1174028-21-7

Catalog:	BB003935
Product Name:	Methyl 5-Bromo-6-iodonicotinate
CAS:	1174028-21-7
Synonyms:	5-bromo-6-iodo-3-pyridinecarboxylic acid methyl ester; methyl 5-bromo-6-iodopyridine-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 5-bromo-6-iodopyridine-3-carboxylate
Description:	Methyl 5-Bromo-6-iodonicotinate (CAS# 1174028-21-7 ) is a useful research chemical.
Molecular Weight:	341.93
Molecular Formula:	C7H5BrINO2
Canonical SMILES:	COC(=O)C1=CC(=C(N=C1)I)Br
InChI:	InChI=1S/C7H5BrINO2/c1-12-7(11)4-2-5(8)6(9)10-3-4/h2-3H,1H3
InChI Key:	WNPDQEDHQZXSOT-UHFFFAOYSA-N
LogP:	2.23530

Publication Number	Title	Priority Date
TW-202003466-A	ANTAGONISTS OF HUMAN INTEGRIN Î±4Î²7	20180412
US-2019315692-A1	Antagonists of human integrin (alpha4)(beta7)	20180412
WO-2019200202-A1	Antagonists of human integrin (alpha4)(beta7)	20180412
US-10759756-B2	Antagonists of human integrin Î±4Î²7	20180412
US-2020385352-A1	Antagonists of human integrin (alpha4)(beta7)	20180412

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Related Functional Groups

Pyridines

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1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1951441-75-0]
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[14993-80-7]
2-(6-Methylpyridin-2-yl)acetonitrile
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[153259-31-5]
2-(Chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine Hydrochloride

Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	340.85484
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	340.85484
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1