Methyl 5-Bromo-2-hydroxyisonicotinate - CAS 913836-17-6

Catalog:	BB040158
Product Name:	Methyl 5-Bromo-2-hydroxyisonicotinate
CAS:	913836-17-6
Synonyms:	5-bromo-2-oxo-1H-pyridine-4-carboxylic acid methyl ester; methyl 5-bromo-2-oxo-1H-pyridine-4-carboxylate

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Computed Properties

IUPAC Name:	methyl 5-bromo-2-oxo-1H-pyridine-4-carboxylate
Description:	Methyl 5-Bromo-2-hydroxyisonicotinate (CAS# 913836-17-6) is a useful research chemical.
Molecular Weight:	232.03
Molecular Formula:	C7H6BrNO3
Canonical SMILES:	COC(=O)C1=CC(=O)NC=C1Br
InChI:	InChI=1S/C7H6BrNO3/c1-12-7(11)4-2-6(10)9-3-5(4)8/h2-3H,1H3,(H,9,10)
InChI Key:	XOMMLGBSSAVOET-UHFFFAOYSA-N
Boiling Point:	400.9 °C at 760 mmHg
Density:	1.716 g/cm³
MDL:	MFCD09027265
LogP:	1.33630

Publication Number	Title	Priority Date
WO-2021151062-A1	Heterocyclic compounds and uses thereof	20200124
WO-2021127071-A1	Bicyclic heterocycle compounds methods of use thereof for the treatment of herpes viruses	20191218
EP-3789378-A1	Piperidines or piperidones substituted with urea and heteroaryl	20190906
WO-2021026672-A1	Heterocyclic wdr5 inhibitors as anti-cancer compounds	20190809
WO-2021028806-A1	Heterocyclic wdr5 inhibitors as anti-cancer compounds	20190809

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Related Functional Groups

Carbonyl Compounds

[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	293
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.95311
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	230.95311
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2