7-Isoquinolinol - CAS 7651-83-4

Catalog:	BB035597
Product Name:	7-Isoquinolinol
CAS:	7651-83-4
Synonyms:	7-isoquinolinol; isoquinolin-7-ol

Technical Data

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Computed Properties

IUPAC Name:	isoquinolin-7-ol
Description:	7-Isoquinolinol (CAS# 7651-83-4) is a useful research chemical.
Molecular Weight:	145.16
Molecular Formula:	C9H7NO
Canonical SMILES:	C1=CC(=CC2=C1C=CN=C2)O
InChI:	InChI=1S/C9H7NO/c11-9-2-1-7-3-4-10-6-8(7)5-9/h1-6,11H
InChI Key:	WCRKBMABEPCYII-UHFFFAOYSA-N
Boiling Point:	332.1 °C at 760 mmHg
Melting Point:	226-228 °C
Purity:	96 % (HPLC)
Density:	1.26 g/cm³
Appearance:	Yellow solid
Storage:	Keep Cold
MDL:	MFCD00456131
LogP:	1.94040

Publication Number	Title	Priority Date
WO-2021203028-A1	7- or 8-hydroxy-isoquinoline and 7- or 8-hydroxy-quinoline derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd)	20200403
WO-2021114313-A1	Ion channel antagonists/blockers and uses thereof	20191214
US-2021147386-A1	Pyrrolidine and piperidine compounds	20191106
WO-2021090245-A1	Pyrrolidine and piperidine compounds	20191106
WO-2021021979-A2	Hdac6 inhibitors and uses thereof	20190730

PMID	Publication Date	Title	Journal
21548952	20110506	CP690,550 inhibits oncostatin M-induced JAK/STAT signaling pathway in rheumatoid synoviocytes	Arthritis research & therapy
17294412	20070101	The Woodward-Doering/Rabe-Kindler total synthesis of quinine: setting the record straight	Angewandte Chemie (International ed. in English)

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Related Functional Groups

Quinoline/Isoquinoline

[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline
[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
[312713-96-5]
7-Chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
[79660-46-1]
Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate
[83-73-8]
Iodoquinol

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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, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.052763847
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	145.052763847
Rotatable Bond Count:	0
Topological Polar Surface Area:	33.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9