6-chloroisoquinolin-5-ol

C9H6ClNO — CID 115015519

IUPAC6-chloroisoquinolin-5-ol
SMILESOc1c(Cl)ccc2cnccc12
InChIInChI=1S/C9H6ClNO/c10-8-2-1-6-5-11-4-3-7(6)9(8)12/h1-5,12H
InChIKeyFRCDFHFAJZFVQB-UHFFFAOYSA-N
MW179.61 g/mol
LogP2.59
Rot. Bonds

About 6-chloroisoquinolin-5-ol

6-chloroisoquinolin-5-ol (PubChem CID 115015519) has the molecular formula C9H6ClNO and a molecular weight of 179.61 g/mol. Its IUPAC name is 6-chloroisoquinolin-5-ol.

Molecular Properties

Compound Name6-chloroisoquinolin-5-ol
PubChem CID115015519
Molecular FormulaC9H6ClNO
Molecular Weight179.61 g/mol
Exact Mass179.01
IUPAC Name6-chloroisoquinolin-5-ol
SMILESOc1c(Cl)ccc2cnccc12
InChIInChI=1S/C9H6ClNO/c10-8-2-1-6-5-11-4-3-7(6)9(8)12/h1-5,12H
InChIKeyFRCDFHFAJZFVQB-UHFFFAOYSA-N
XLogP2.59
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.61
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,8-phenanthroline
CID 13064691
6-chloroisoquinoline-5-carboxylic acid
CID 82574726
(6-chloroisoquinolin-5-yl)methanamine
CID 82573572
6-chloro-5-nitroisoquinoline
CID 19027803
6-propylisoquinolin-5-ol
CID 45117044
6-bromo-5-chloroisoquinoline
CID 58433034
6-(1,3-thiazol-5-yl)isoquinolin-5-ol
CID 168925780
2,5-dichloro-4-isoquinolin-5-ylphenol
CID 107663326
7-chloro-8-iodoisoquinoline
CID 142740347
8-chloro-11-methyl-[1]benzofuro[3,2-f]isoquinoline
CID 163959386
6-(3,4-dichlorophenyl)sulfanylisoquinolin-5-amine
CID 106948836
1-chloro-3-(5-chloroisoquinolin-6-yl)propan-2-one
CID 58367619

Frequently Asked Questions

What is the IUPAC name of 6-chloroisoquinolin-5-ol?
The IUPAC name of 6-chloroisoquinolin-5-ol (CID 115015519) is 6-chloroisoquinolin-5-ol.
What is the SMILES notation for 6-chloroisoquinolin-5-ol?
The canonical SMILES for 6-chloroisoquinolin-5-ol is Oc1c(Cl)ccc2cnccc12.
What is the InChIKey of 6-chloroisoquinolin-5-ol?
The InChIKey is FRCDFHFAJZFVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO/c10-8-2-1-6-5-11-4-3-7(6)9(8)12/h1-5,12H.
What are the key properties of 6-chloroisoquinolin-5-ol?
6-chloroisoquinolin-5-ol has a molecular weight of 179.61 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloroisoquinolin-5-ol is sourced from PubChem (CID 115015519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).