7-fluoro-1-prop-2-enyl-1,5-naphthyridin-2-one

C11H9FN2O — CID 58579467

IUPAC7-fluoro-1-prop-2-enyl-1,5-naphthyridin-2-one
SMILESC=CCn1c(=O)ccc2ncc(F)cc21
InChIInChI=1S/C11H9FN2O/c1-2-5-14-10-6-8(12)7-13-9(10)3-4-11(14)15/h2-4,6-7H,1,5H2
InChIKeyWVGKFIWZYAIUDF-UHFFFAOYSA-N
MW204.20 g/mol
LogP1.72
Rot. Bonds2

About 7-fluoro-1-prop-2-enyl-1,5-naphthyridin-2-one

7-fluoro-1-prop-2-enyl-1,5-naphthyridin-2-one (PubChem CID 58579467) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 7-fluoro-1-prop-2-enyl-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name7-fluoro-1-prop-2-enyl-1,5-naphthyridin-2-one
PubChem CID58579467
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name7-fluoro-1-prop-2-enyl-1,5-naphthyridin-2-one
SMILESC=CCn1c(=O)ccc2ncc(F)cc21
InChIInChI=1S/C11H9FN2O/c1-2-5-14-10-6-8(12)7-13-9(10)3-4-11(14)15/h2-4,6-7H,1,5H2
InChIKeyWVGKFIWZYAIUDF-UHFFFAOYSA-N
XLogP1.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-prop-2-enyl-1,5-naphthyridin-2-one?
The IUPAC name of 7-fluoro-1-prop-2-enyl-1,5-naphthyridin-2-one (CID 58579467) is 7-fluoro-1-prop-2-enyl-1,5-naphthyridin-2-one.
What is the SMILES notation for 7-fluoro-1-prop-2-enyl-1,5-naphthyridin-2-one?
The canonical SMILES for 7-fluoro-1-prop-2-enyl-1,5-naphthyridin-2-one is C=CCn1c(=O)ccc2ncc(F)cc21.
What is the InChIKey of 7-fluoro-1-prop-2-enyl-1,5-naphthyridin-2-one?
The InChIKey is WVGKFIWZYAIUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c1-2-5-14-10-6-8(12)7-13-9(10)3-4-11(14)15/h2-4,6-7H,1,5H2.
What are the key properties of 7-fluoro-1-prop-2-enyl-1,5-naphthyridin-2-one?
7-fluoro-1-prop-2-enyl-1,5-naphthyridin-2-one has a molecular weight of 204.20 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-prop-2-enyl-1,5-naphthyridin-2-one is sourced from PubChem (CID 58579467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).