6-hydroxy-2H-isoquinolin-3-one

C9H7NO2 — CID 57268567

IUPAC6-hydroxy-2H-isoquinolin-3-one
SMILESO=c1cc2cc(O)ccc2c[nH]1
InChIInChI=1S/C9H7NO2/c11-8-2-1-6-5-10-9(12)4-7(6)3-8/h1-5,11H,(H,10,12)
InChIKeyLLYBWEPNBQEKEO-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.23
Rot. Bonds

About 6-hydroxy-2H-isoquinolin-3-one

6-hydroxy-2H-isoquinolin-3-one (PubChem CID 57268567) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 6-hydroxy-2H-isoquinolin-3-one.

Molecular Properties

Compound Name6-hydroxy-2H-isoquinolin-3-one
PubChem CID57268567
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name6-hydroxy-2H-isoquinolin-3-one
SMILESO=c1cc2cc(O)ccc2c[nH]1
InChIInChI=1S/C9H7NO2/c11-8-2-1-6-5-10-9(12)4-7(6)3-8/h1-5,11H,(H,10,12)
InChIKeyLLYBWEPNBQEKEO-UHFFFAOYSA-N
XLogP1.23
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2H-isoquinolin-3-one?
The IUPAC name of 6-hydroxy-2H-isoquinolin-3-one (CID 57268567) is 6-hydroxy-2H-isoquinolin-3-one.
What is the SMILES notation for 6-hydroxy-2H-isoquinolin-3-one?
The canonical SMILES for 6-hydroxy-2H-isoquinolin-3-one is O=c1cc2cc(O)ccc2c[nH]1.
What is the InChIKey of 6-hydroxy-2H-isoquinolin-3-one?
The InChIKey is LLYBWEPNBQEKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-8-2-1-6-5-10-9(12)4-7(6)3-8/h1-5,11H,(H,10,12).
What are the key properties of 6-hydroxy-2H-isoquinolin-3-one?
6-hydroxy-2H-isoquinolin-3-one has a molecular weight of 161.16 g/mol, XLogP of 1.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2H-isoquinolin-3-one is sourced from PubChem (CID 57268567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).