8-fluoro-3-(hydroxymethyl)-5H-benzo[c][1,5]naphthyridin-6-one

C13H9FN2O2 — CID 167179091

IUPAC8-fluoro-3-(hydroxymethyl)-5H-benzo[c][1,5]naphthyridin-6-one
SMILESO=c1[nH]c2cc(CO)cnc2c2ccc(F)cc12
InChIInChI=1S/C13H9FN2O2/c14-8-1-2-9-10(4-8)13(18)16-11-3-7(6-17)5-15-12(9)11/h1-5,17H,6H2,(H,16,18)
InChIKeyCCSDQABQOHUELL-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.71
Rot. Bonds1

About 8-fluoro-3-(hydroxymethyl)-5H-benzo[c][1,5]naphthyridin-6-one

8-fluoro-3-(hydroxymethyl)-5H-benzo[c][1,5]naphthyridin-6-one (PubChem CID 167179091) has the molecular formula C13H9FN2O2 and a molecular weight of 244.22 g/mol. Its IUPAC name is 8-fluoro-3-(hydroxymethyl)-5H-benzo[c][1,5]naphthyridin-6-one.

Molecular Properties

Compound Name8-fluoro-3-(hydroxymethyl)-5H-benzo[c][1,5]naphthyridin-6-one
PubChem CID167179091
Molecular FormulaC13H9FN2O2
Molecular Weight244.22 g/mol
Exact Mass244.06
IUPAC Name8-fluoro-3-(hydroxymethyl)-5H-benzo[c][1,5]naphthyridin-6-one
SMILESO=c1[nH]c2cc(CO)cnc2c2ccc(F)cc12
InChIInChI=1S/C13H9FN2O2/c14-8-1-2-9-10(4-8)13(18)16-11-3-7(6-17)5-15-12(9)11/h1-5,17H,6H2,(H,16,18)
InChIKeyCCSDQABQOHUELL-UHFFFAOYSA-N
XLogP1.71
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-(hydroxymethyl)-5H-benzo[c][1,5]naphthyridin-6-one?
The IUPAC name of 8-fluoro-3-(hydroxymethyl)-5H-benzo[c][1,5]naphthyridin-6-one (CID 167179091) is 8-fluoro-3-(hydroxymethyl)-5H-benzo[c][1,5]naphthyridin-6-one.
What is the SMILES notation for 8-fluoro-3-(hydroxymethyl)-5H-benzo[c][1,5]naphthyridin-6-one?
The canonical SMILES for 8-fluoro-3-(hydroxymethyl)-5H-benzo[c][1,5]naphthyridin-6-one is O=c1[nH]c2cc(CO)cnc2c2ccc(F)cc12.
What is the InChIKey of 8-fluoro-3-(hydroxymethyl)-5H-benzo[c][1,5]naphthyridin-6-one?
The InChIKey is CCSDQABQOHUELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2/c14-8-1-2-9-10(4-8)13(18)16-11-3-7(6-17)5-15-12(9)11/h1-5,17H,6H2,(H,16,18).
What are the key properties of 8-fluoro-3-(hydroxymethyl)-5H-benzo[c][1,5]naphthyridin-6-one?
8-fluoro-3-(hydroxymethyl)-5H-benzo[c][1,5]naphthyridin-6-one has a molecular weight of 244.22 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-(hydroxymethyl)-5H-benzo[c][1,5]naphthyridin-6-one is sourced from PubChem (CID 167179091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).