6-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-one

C8H7FN2O — CID 57364184

IUPAC6-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-one
SMILESO=C1CCNc2ccc(F)nc21
InChIInChI=1S/C8H7FN2O/c9-7-2-1-5-8(11-7)6(12)3-4-10-5/h1-2,10H,3-4H2
InChIKeyMBUDCTKTHACNBR-UHFFFAOYSA-N
MW166.16 g/mol
LogP1.22
Rot. Bonds

About 6-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-one

6-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-one (PubChem CID 57364184) has the molecular formula C8H7FN2O and a molecular weight of 166.16 g/mol. Its IUPAC name is 6-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-one.

Molecular Properties

Compound Name6-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-one
PubChem CID57364184
Molecular FormulaC8H7FN2O
Molecular Weight166.16 g/mol
Exact Mass166.05
IUPAC Name6-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-one
SMILESO=C1CCNc2ccc(F)nc21
InChIInChI=1S/C8H7FN2O/c9-7-2-1-5-8(11-7)6(12)3-4-10-5/h1-2,10H,3-4H2
InChIKeyMBUDCTKTHACNBR-UHFFFAOYSA-N
XLogP1.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-one?
The IUPAC name of 6-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-one (CID 57364184) is 6-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-one.
What is the SMILES notation for 6-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-one?
The canonical SMILES for 6-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-one is O=C1CCNc2ccc(F)nc21.
What is the InChIKey of 6-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-one?
The InChIKey is MBUDCTKTHACNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O/c9-7-2-1-5-8(11-7)6(12)3-4-10-5/h1-2,10H,3-4H2.
What are the key properties of 6-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-one?
6-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-one has a molecular weight of 166.16 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-one is sourced from PubChem (CID 57364184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).