7-bromo-1-hydroxyisoquinoline - CAS 223671-15-6

Catalog:	BB017562
Product Name:	7-bromo-1-hydroxyisoquinoline
CAS:	223671-15-6
Synonyms:	7-bromo-2H-isoquinolin-1-one

Technical Data

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Patents

Computed Properties

IUPAC Name:	7-bromo-2H-isoquinolin-1-one
Description:	7-bromo-1-hydroxyisoquinoline (CAS# 223671-15-6) is a useful research chemical.
Molecular Weight:	224.05
Molecular Formula:	C9H6BrNO
Canonical SMILES:	C1=CC(=CC2=C1C=CNC2=O)Br
InChI:	InChI=1S/C9H6BrNO/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-5H,(H,11,12)
InChI Key:	DSOKREQUHLPVFR-UHFFFAOYSA-N
Boiling Point:	427.5 °C at 760 mmHg
Melting Point:	248-250 °C
Purity:	95 %
Density:	1.62 g/cm³
Appearance:	White to yellow of beige powder or crystals
MDL:	MFCD02093963
LogP:	2.29060

Publication Number	Title	Priority Date
WO-2021155316-A1	Compounds and uses thereof	20200129
WO-2021127166-A1	Inhibitors of enl/af9 yeats	20191217
CN-111825656-A	Inhibitors of protein arginine methyltransferase 5(PRMT5), pharmaceutical products thereof, and methods thereof	20190415
WO-2020160180-A1	Compounds and uses thereof	20190129
KR-20200119859-A	Inhibitors of protein arginine methyltransferase 5 (PRMT 5), pharmaceutical products thereof, and methods thereof	20180309

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Related Functional Groups

Quinoline/Isoquinoline

[91092-92-1]
3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione
[938001-63-9]
9-Chloro-1-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]quinoline
[892874-65-6]
2,7-Dimethylquinoline-3-carboxylic acid ethyl ester
[36034-54-5]
4-Methoxyisoquinoline
[1535306-28-5]
6-Fluoro-8-iodoquinolin-2(1H)-one
[4965-34-8]
7-Bromo-2-methylquinoline

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GHS Hazard Statement:	H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.96328
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	222.96328
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2