6-fluoro-1-hydroxy-2H-isoquinolin-3-one

C9H6FNO2 — CID 90817847

IUPAC6-fluoro-1-hydroxy-2H-isoquinolin-3-one
SMILESO=c1cc2cc(F)ccc2c(O)[nH]1
InChIInChI=1S/C9H6FNO2/c10-6-1-2-7-5(3-6)4-8(12)11-9(7)13/h1-4H,(H2,11,12,13)
InChIKeyKSJXYHRCWBDLFN-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.37
Rot. Bonds

About 6-fluoro-1-hydroxy-2H-isoquinolin-3-one

6-fluoro-1-hydroxy-2H-isoquinolin-3-one (PubChem CID 90817847) has the molecular formula C9H6FNO2 and a molecular weight of 179.15 g/mol. Its IUPAC name is 6-fluoro-1-hydroxy-2H-isoquinolin-3-one.

Molecular Properties

Compound Name6-fluoro-1-hydroxy-2H-isoquinolin-3-one
PubChem CID90817847
Molecular FormulaC9H6FNO2
Molecular Weight179.15 g/mol
Exact Mass179.04
IUPAC Name6-fluoro-1-hydroxy-2H-isoquinolin-3-one
SMILESO=c1cc2cc(F)ccc2c(O)[nH]1
InChIInChI=1S/C9H6FNO2/c10-6-1-2-7-5(3-6)4-8(12)11-9(7)13/h1-4H,(H2,11,12,13)
InChIKeyKSJXYHRCWBDLFN-UHFFFAOYSA-N
XLogP1.37
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Isoquinolinediol
CID 251596
1-ethoxy-8-fluoro-2H-isoquinolin-3-one
CID 138974315
1-ethoxy-7-fluoro-2H-isoquinolin-3-one
CID 138974695
Trihydroxyisoquinoline
CID 67120228
1-hydroxy-2H-benzo[g]isoquinolin-3-one
CID 91372494
1-Chloro-6-fluoroisoquinolin-3-ol
CID 90101659
6-hydroxy-4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one
CID 123754015
5-(fluoromethyl)-6-hydroxy-1H-pyridin-2-one
CID 152701922
2,6-Dihydroxy-3-vinyl-4-methylpyridine
CID 13310393
3-(Trifluoromethyl)pyridine-2,6-diol
CID 17891626
5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one
CID 130094533
5-(difluoromethyl)-4-fluoro-6-hydroxy-1H-pyridin-2-one
CID 130100047

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-hydroxy-2H-isoquinolin-3-one?
The IUPAC name of 6-fluoro-1-hydroxy-2H-isoquinolin-3-one (CID 90817847) is 6-fluoro-1-hydroxy-2H-isoquinolin-3-one.
What is the SMILES notation for 6-fluoro-1-hydroxy-2H-isoquinolin-3-one?
The canonical SMILES for 6-fluoro-1-hydroxy-2H-isoquinolin-3-one is O=c1cc2cc(F)ccc2c(O)[nH]1.
What is the InChIKey of 6-fluoro-1-hydroxy-2H-isoquinolin-3-one?
The InChIKey is KSJXYHRCWBDLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO2/c10-6-1-2-7-5(3-6)4-8(12)11-9(7)13/h1-4H,(H2,11,12,13).
What are the key properties of 6-fluoro-1-hydroxy-2H-isoquinolin-3-one?
6-fluoro-1-hydroxy-2H-isoquinolin-3-one has a molecular weight of 179.15 g/mol, XLogP of 1.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-hydroxy-2H-isoquinolin-3-one is sourced from PubChem (CID 90817847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).