3-Bromo-4-hydroxythieno[3,2-c]pyridine - CAS 799293-83-7

Catalog:	BB036431
Product Name:	3-Bromo-4-hydroxythieno[3,2-c]pyridine
CAS:	799293-83-7
Synonyms:	3-bromo-5H-thieno[3,2-c]pyridin-4-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-bromo-5H-thieno[3,2-c]pyridin-4-one
Description:	3-Bromo-4-hydroxythieno[3,2-c]pyridine (CAS# 799293-83-7) is a useful research chemical.
Molecular Weight:	230.08
Molecular Formula:	C7H4BrNOS
Canonical SMILES:	C1=CNC(=O)C2=C1SC=C2Br
InChI:	InChI=1S/C7H4BrNOS/c8-4-3-11-5-1-2-9-7(10)6(4)5/h1-3H,(H,9,10)
InChI Key:	AMWQWPCIUPRUFH-UHFFFAOYSA-N
LogP:	2.76440

Publication Number	Title	Priority Date
US-2021147386-A1	Pyrrolidine and piperidine compounds	20191106
WO-2021090245-A1	Pyrrolidine and piperidine compounds	20191106
EP-3386591-A1	Heteroaromatic nmda receptor modulators and uses thereof	20151209
EP-3386591-B1	Heteroaromatic nmda receptor modulators and uses thereof	20151209
JP-2018536685-A	Heteroaromatic NMDA receptor modulators and uses thereof	20151209

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Related Functional Groups

Halides

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[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene
[111-85-3]
1-Chlorooctane
[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one

Pyridines

[1951441-75-0]
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[14993-80-7]
2-(6-Methylpyridin-2-yl)acetonitrile
[4926-28-7]
2-Bromo-4-methylpyridine
[267242-99-9]
2-Chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
[2122800-15-9]
3-(Phenyl-4-D)-N,N-dimethyl-3-(2-pyridyl)-1-propanamine
[1198098-45-1]
3-Allyl-5-methyl-1H-pyrrolo[2,3-b]pyridine

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.9197
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	228.9197
Rotatable Bond Count:	0
Topological Polar Surface Area:	57.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7