7-hydroxy-2H-isoquinolin-3-one

C9H7NO2 — CID 103351511

IUPAC7-hydroxy-2H-isoquinolin-3-one
SMILESO=c1cc2ccc(O)cc2c[nH]1
InChIInChI=1S/C9H7NO2/c11-8-2-1-6-4-9(12)10-5-7(6)3-8/h1-5,11H,(H,10,12)
InChIKeyWSOWPIKEUTVRFU-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.23
Rot. Bonds

About 7-hydroxy-2H-isoquinolin-3-one

7-hydroxy-2H-isoquinolin-3-one (PubChem CID 103351511) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 7-hydroxy-2H-isoquinolin-3-one.

Molecular Properties

Compound Name7-hydroxy-2H-isoquinolin-3-one
PubChem CID103351511
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name7-hydroxy-2H-isoquinolin-3-one
SMILESO=c1cc2ccc(O)cc2c[nH]1
InChIInChI=1S/C9H7NO2/c11-8-2-1-6-4-9(12)10-5-7(6)3-8/h1-5,11H,(H,10,12)
InChIKeyWSOWPIKEUTVRFU-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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Related Compounds

3-Hydroxyisoquinoline
CID 2736554
4-hydroxy-5-methylpyridin-2(1H)-one
CID 54720146
3,4-Dihydroxyisoquinoline
CID 20096843
7-Methoxyisoquinolin-3(2H)-one
CID 67521004
5-fluoro-6-hydroxy-2H-isoquinolin-3-one
CID 103351532
(2E)-3-(6-Hydroxypyridin-3-YL)prop-2-enoic acid
CID 2784751
(E)-3-(6-Hydroxypyridin-3-YL)acrylic acid
CID 5709905
6-methoxy-2H-isoquinolin-3-one
CID 21541259
2(1H)-Pyridinone, 5-ethyl-4-hydroxy-
CID 54708327
6-hydroxy-2H-isoquinolin-3-one
CID 57268567
5-(1-hydroxyethenyl)-1H-pyridin-2-one
CID 89243281
5-hydroxy-2H-isoquinolin-3-one
CID 103351525

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2H-isoquinolin-3-one?
The IUPAC name of 7-hydroxy-2H-isoquinolin-3-one (CID 103351511) is 7-hydroxy-2H-isoquinolin-3-one.
What is the SMILES notation for 7-hydroxy-2H-isoquinolin-3-one?
The canonical SMILES for 7-hydroxy-2H-isoquinolin-3-one is O=c1cc2ccc(O)cc2c[nH]1.
What is the InChIKey of 7-hydroxy-2H-isoquinolin-3-one?
The InChIKey is WSOWPIKEUTVRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-8-2-1-6-4-9(12)10-5-7(6)3-8/h1-5,11H,(H,10,12).
What are the key properties of 7-hydroxy-2H-isoquinolin-3-one?
7-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 7-hydroxy-2H-isoquinolin-3-one is sourced from PubChem (CID 103351511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).