5-Bromo-3-hydroxyisoquinoline

CAT: 0127-OR300065-01Size: 250 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR300065-01Size:250 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1175271-86-9

Synonyms

5-Bromoisoquinolin-3-ol, 5-Bromo-3-hydroxy-2-azanaphthalene

MDL Number

MFCD11040413

Purity

=95%

Smiles

Oc1cc2c(Br)cccc2cn1

Chemical Information

5-Bromo-3-hydroxyisoquinoline

CAS Number	1175271-86-9
PubChem CID	57368525
IUPAC Name	5-bromo-2H-isoquinolin-3-one
Molecular Formula	C9H6BrNO
Molecular Weight	224.05
XLogP	1
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	361

SMILES

C1=CC2=CNC(=O)C=C2C(=C1)Br

InChI

InChI=1S/C9H6BrNO/c10-8-3-1-2-6-5-11-9(12)4-7(6)8/h1-5H,(H,11,12)

InChIKey

PEPBAJBUKPWIEN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1175271-86-9

CID: 57368525

Formula: C9H6BrNO

MW: 224.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	224.05
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	222.96328
Monoisotopic Mass	222.96328
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	361
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR42117-01	6-Bromo-3-hydroxyisoquinoline
OR42115	7-Bromo-3-hydroxyisoquinoline
OR42113-01	8-Bromo-3-hydroxyisoquinoline
OR2817-01	5-Hydroxyisoquinoline
OR17550-01	4-Bromo-1-hydroxyisoquinoline
OR300126-01	8-Bromo-1-hydroxyisoquinoline
OR300047-01	7-Bromo-1-hydroxyisoquinoline
OR43637	5-Amino-3-hydroxyisoquinoline
OR1224-01	3-Hydroxyisoquinoline
OR300071	1-Hydroxyisoquinoline-5-carbonitrile

Catalog	Name
438064-01	6-Bromo-3-hydroxyisoquinoline
sc-475455	8-Bromo-3-hydroxyisoquinoline
439466-01	7-Bromo-3-hydroxyisoquinoline
HY-W004721-01	5-Hydroxyisoquinoline
234562-01	6-Bromo-3-hydroxyisoquinoline ≥95% (HPLC)
234978-01	8-Bromo-3-hydroxyisoquinoline ≥95% (HPLC)
266247-01	4-Bromo-1-hydroxyisoquinoline
sc-268353	7-Bromo-1-hydroxyisoquinoline
278718-01	3-Hydroxyisoquinoline
426039-01	3-Hydroxyisoquinoline