6-fluoro-6H-cinnolin-4-one

C8H5FN2O — CID 78176153

IUPAC6-fluoro-6H-cinnolin-4-one
SMILESO=C1C=NN=C2C=CC(F)C=C12
InChIInChI=1S/C8H5FN2O/c9-5-1-2-7-6(3-5)8(12)4-10-11-7/h1-5H
InChIKeyYGPIGDFNQINNBL-UHFFFAOYSA-N
MW164.14 g/mol
LogP0.83
Rot. Bonds

About 6-fluoro-6H-cinnolin-4-one

6-fluoro-6H-cinnolin-4-one (PubChem CID 78176153) has the molecular formula C8H5FN2O and a molecular weight of 164.14 g/mol. Its IUPAC name is 6-fluoro-6H-cinnolin-4-one.

Molecular Properties

Compound Name6-fluoro-6H-cinnolin-4-one
PubChem CID78176153
Molecular FormulaC8H5FN2O
Molecular Weight164.14 g/mol
Exact Mass164.04
IUPAC Name6-fluoro-6H-cinnolin-4-one
SMILESO=C1C=NN=C2C=CC(F)C=C12
InChIInChI=1S/C8H5FN2O/c9-5-1-2-7-6(3-5)8(12)4-10-11-7/h1-5H
InChIKeyYGPIGDFNQINNBL-UHFFFAOYSA-N
XLogP0.83
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Benzo[f]indazol-6-one
CID 152146995
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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6H-cinnolin-4-one?
The IUPAC name of 6-fluoro-6H-cinnolin-4-one (CID 78176153) is 6-fluoro-6H-cinnolin-4-one.
What is the SMILES notation for 6-fluoro-6H-cinnolin-4-one?
The canonical SMILES for 6-fluoro-6H-cinnolin-4-one is O=C1C=NN=C2C=CC(F)C=C12.
What is the InChIKey of 6-fluoro-6H-cinnolin-4-one?
The InChIKey is YGPIGDFNQINNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O/c9-5-1-2-7-6(3-5)8(12)4-10-11-7/h1-5H.
What are the key properties of 6-fluoro-6H-cinnolin-4-one?
6-fluoro-6H-cinnolin-4-one has a molecular weight of 164.14 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6H-cinnolin-4-one is sourced from PubChem (CID 78176153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).