CAS 2439-04-5 | 5-Hydroxyisoquinoline | CAS Number 2439-04-5

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2439-04-5 | 5-Hydroxyisoquinoline

CAS No: 2439-04-5 Catalog No: AG003MSQ MDL No:MFCD00006906

Product Description

Catalog Number:

AG003MSQ

Chemical Name:

5-Hydroxyisoquinoline

CAS Number:

2439-04-5

Molecular Formula:

C9H7NO

Molecular Weight:

145.1580

MDL Number:

MFCD00006906

IUPAC Name:

isoquinolin-5-ol

InChI:

InChI=1S/C9H7NO/c11-9-3-1-2-7-6-10-5-4-8(7)9/h1-6,11H

InChI Key:

CSNXUYRHPXGSJD-UHFFFAOYSA-N

SMILES:

Oc1cccc2c1ccnc2

EC Number:

219-456-9

NSC Number:

51787

Properties

Complexity:

138

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

145.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

145.161g/mol

Monoisotopic Mass:

145.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

33.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Pyrogallol, an active compound from the medicinal plant Emblica officinalis, regulates expression of pro-inflammatory genes in bronchial epithelial cells.	International immunopharmacology 20081210
Multiple and single binding modes of fragment-like kinase inhibitors revealed by molecular modeling, residue type-selective protonation, and nuclear overhauser effects.	Journal of medicinal chemistry 20081009
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Reactions of 5-, 6-, 7-, 8-hydroxyquinolines and 5-hydroxyisoquinoline with benzene and cyclohexane in superacids.	The Journal of organic chemistry 20020614