2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one

C16H11FN2O — CID 53326433

IUPAC2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESO=C1NCCc2nc(C#Cc3cccc(F)c3)ccc21
InChIInChI=1S/C16H11FN2O/c17-12-3-1-2-11(10-12)4-5-13-6-7-14-15(19-13)8-9-18-16(14)20/h1-3,6-7,10H,8-9H2,(H,18,20)
InChIKeyCCBMCVHJBDQDRF-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.91
Rot. Bonds

About 2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one

2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one (PubChem CID 53326433) has the molecular formula C16H11FN2O and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one
PubChem CID53326433
Molecular FormulaC16H11FN2O
Molecular Weight266.27 g/mol
Exact Mass266.09
IUPAC Name2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESO=C1NCCc2nc(C#Cc3cccc(F)c3)ccc21
InChIInChI=1S/C16H11FN2O/c17-12-3-1-2-11(10-12)4-5-13-6-7-14-15(19-13)8-9-18-16(14)20/h1-3,6-7,10H,8-9H2,(H,18,20)
InChIKeyCCBMCVHJBDQDRF-UHFFFAOYSA-N
XLogP1.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The IUPAC name of 2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one (CID 53326433) is 2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one is O=C1NCCc2nc(C#Cc3cccc(F)c3)ccc21.
What is the InChIKey of 2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The InChIKey is CCBMCVHJBDQDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O/c17-12-3-1-2-11(10-12)4-5-13-6-7-14-15(19-13)8-9-18-16(14)20/h1-3,6-7,10H,8-9H2,(H,18,20).
What are the key properties of 2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one?
2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one has a molecular weight of 266.27 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 53326433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).