1-ethyl-7-fluoro-1,6-naphthyridin-2-one

C10H9FN2O — CID 22124621

IUPAC1-ethyl-7-fluoro-1,6-naphthyridin-2-one
SMILESCCn1c(=O)ccc2cnc(F)cc21
InChIInChI=1S/C10H9FN2O/c1-2-13-8-5-9(11)12-6-7(8)3-4-10(13)14/h3-6H,2H2,1H3
InChIKeyCTRKZVCUCRFZIN-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.56
Rot. Bonds1

About 1-ethyl-7-fluoro-1,6-naphthyridin-2-one

1-ethyl-7-fluoro-1,6-naphthyridin-2-one (PubChem CID 22124621) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 1-ethyl-7-fluoro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-ethyl-7-fluoro-1,6-naphthyridin-2-one
PubChem CID22124621
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name1-ethyl-7-fluoro-1,6-naphthyridin-2-one
SMILESCCn1c(=O)ccc2cnc(F)cc21
InChIInChI=1S/C10H9FN2O/c1-2-13-8-5-9(11)12-6-7(8)3-4-10(13)14/h3-6H,2H2,1H3
InChIKeyCTRKZVCUCRFZIN-UHFFFAOYSA-N
XLogP1.56
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.56
H-Bond Donors ≤ 50
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 1-ethyl-7-fluoro-1,6-naphthyridin-2-one?
The IUPAC name of 1-ethyl-7-fluoro-1,6-naphthyridin-2-one (CID 22124621) is 1-ethyl-7-fluoro-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-ethyl-7-fluoro-1,6-naphthyridin-2-one?
The canonical SMILES for 1-ethyl-7-fluoro-1,6-naphthyridin-2-one is CCn1c(=O)ccc2cnc(F)cc21.
What is the InChIKey of 1-ethyl-7-fluoro-1,6-naphthyridin-2-one?
The InChIKey is CTRKZVCUCRFZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-2-13-8-5-9(11)12-6-7(8)3-4-10(13)14/h3-6H,2H2,1H3.
What are the key properties of 1-ethyl-7-fluoro-1,6-naphthyridin-2-one?
1-ethyl-7-fluoro-1,6-naphthyridin-2-one has a molecular weight of 192.19 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-fluoro-1,6-naphthyridin-2-one is sourced from PubChem (CID 22124621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).