isoquinolin-5-ol

C9H7NO — CID 30386

IUPACisoquinolin-5-ol
SMILESOc1cccc2cnccc12
InChIInChI=1S/C9H7NO/c11-9-3-1-2-7-6-10-5-4-8(7)9/h1-6,11H
InChIKeyCSNXUYRHPXGSJD-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.94
Rot. Bonds

About isoquinolin-5-ol

isoquinolin-5-ol (PubChem CID 30386) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is isoquinolin-5-ol.

Molecular Properties

Compound Nameisoquinolin-5-ol
PubChem CID30386
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Nameisoquinolin-5-ol
SMILESOc1cccc2cnccc12
InChIInChI=1S/C9H7NO/c11-9-3-1-2-7-6-10-5-4-8(7)9/h1-6,11H
InChIKeyCSNXUYRHPXGSJD-UHFFFAOYSA-N
XLogP1.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-Hydroxyquinoline
CID 1923
3-Hydroxyquinoline
CID 11376
Quinolin-5-ol
CID 135441757
5-Methyl-8-hydroxyquinoline
CID 71208
Papaveroline
CID 5459346
4-Isoquinolinol
CID 18750
6-Hydroxyquinoline
CID 11374
5-Fluoro-8-quinolinol
CID 217907
NoName_714
CID 135489221
4-Methyl-8-hydroxyquinoline
CID 345169
US9682910, 4-(Pyridin-3yl)benzene-1,3-diol (3)
CID 22001174
8-Hydroxyisoquinoline
CID 135441711

Frequently Asked Questions

What is the IUPAC name of isoquinolin-5-ol?
The IUPAC name of isoquinolin-5-ol (CID 30386) is isoquinolin-5-ol.
What is the SMILES notation for isoquinolin-5-ol?
The canonical SMILES for isoquinolin-5-ol is Oc1cccc2cnccc12.
What is the InChIKey of isoquinolin-5-ol?
The InChIKey is CSNXUYRHPXGSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c11-9-3-1-2-7-6-10-5-4-8(7)9/h1-6,11H.
What are the key properties of isoquinolin-5-ol?
isoquinolin-5-ol has a molecular weight of 145.16 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-5-ol is sourced from PubChem (CID 30386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).