isoquinolin-6-ol

C9H7NO — CID 135483582

IUPACisoquinolin-6-ol
SMILESOc1ccc2cnccc2c1
InChIInChI=1S/C9H7NO/c11-9-2-1-8-6-10-4-3-7(8)5-9/h1-6,11H
InChIKeyGPVPDRHTRGTSIH-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.94
Rot. Bonds

About isoquinolin-6-ol

isoquinolin-6-ol (PubChem CID 135483582) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is isoquinolin-6-ol.

Molecular Properties

Compound Nameisoquinolin-6-ol
PubChem CID135483582
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Nameisoquinolin-6-ol
SMILESOc1ccc2cnccc2c1
InChIInChI=1S/C9H7NO/c11-9-2-1-8-6-10-4-3-7(8)5-9/h1-6,11H
InChIKeyGPVPDRHTRGTSIH-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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Frequently Asked Questions

What is the IUPAC name of isoquinolin-6-ol?
The IUPAC name of isoquinolin-6-ol (CID 135483582) is isoquinolin-6-ol.
What is the SMILES notation for isoquinolin-6-ol?
The canonical SMILES for isoquinolin-6-ol is Oc1ccc2cnccc2c1.
What is the InChIKey of isoquinolin-6-ol?
The InChIKey is GPVPDRHTRGTSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c11-9-2-1-8-6-10-4-3-7(8)5-9/h1-6,11H.
What are the key properties of isoquinolin-6-ol?
isoquinolin-6-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-6-ol is sourced from PubChem (CID 135483582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).