2-[(2,3-difluorophenyl)methylsulfanyl]-3H-1,8-naphthyridin-4-one

C15H10F2N2OS — CID 141223479

IUPAC2-[(2,3-difluorophenyl)methylsulfanyl]-3H-1,8-naphthyridin-4-one
SMILESO=C1CC(SCc2cccc(F)c2F)=Nc2ncccc21
InChIInChI=1S/C15H10F2N2OS/c16-11-5-1-3-9(14(11)17)8-21-13-7-12(20)10-4-2-6-18-15(10)19-13/h1-6H,7-8H2
InChIKeyGBBOZOAPOCDTBQ-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.91
Rot. Bonds2

About 2-[(2,3-difluorophenyl)methylsulfanyl]-3H-1,8-naphthyridin-4-one

2-[(2,3-difluorophenyl)methylsulfanyl]-3H-1,8-naphthyridin-4-one (PubChem CID 141223479) has the molecular formula C15H10F2N2OS and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-[(2,3-difluorophenyl)methylsulfanyl]-3H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-[(2,3-difluorophenyl)methylsulfanyl]-3H-1,8-naphthyridin-4-one
PubChem CID141223479
Molecular FormulaC15H10F2N2OS
Molecular Weight304.32 g/mol
Exact Mass304.05
IUPAC Name2-[(2,3-difluorophenyl)methylsulfanyl]-3H-1,8-naphthyridin-4-one
SMILESO=C1CC(SCc2cccc(F)c2F)=Nc2ncccc21
InChIInChI=1S/C15H10F2N2OS/c16-11-5-1-3-9(14(11)17)8-21-13-7-12(20)10-4-2-6-18-15(10)19-13/h1-6H,7-8H2
InChIKeyGBBOZOAPOCDTBQ-UHFFFAOYSA-N
XLogP3.91
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenyl)methylsulfanyl]-3H-1,8-naphthyridin-4-one?
The IUPAC name of 2-[(2,3-difluorophenyl)methylsulfanyl]-3H-1,8-naphthyridin-4-one (CID 141223479) is 2-[(2,3-difluorophenyl)methylsulfanyl]-3H-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-[(2,3-difluorophenyl)methylsulfanyl]-3H-1,8-naphthyridin-4-one?
The canonical SMILES for 2-[(2,3-difluorophenyl)methylsulfanyl]-3H-1,8-naphthyridin-4-one is O=C1CC(SCc2cccc(F)c2F)=Nc2ncccc21.
What is the InChIKey of 2-[(2,3-difluorophenyl)methylsulfanyl]-3H-1,8-naphthyridin-4-one?
The InChIKey is GBBOZOAPOCDTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2OS/c16-11-5-1-3-9(14(11)17)8-21-13-7-12(20)10-4-2-6-18-15(10)19-13/h1-6H,7-8H2.
What are the key properties of 2-[(2,3-difluorophenyl)methylsulfanyl]-3H-1,8-naphthyridin-4-one?
2-[(2,3-difluorophenyl)methylsulfanyl]-3H-1,8-naphthyridin-4-one has a molecular weight of 304.32 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenyl)methylsulfanyl]-3H-1,8-naphthyridin-4-one is sourced from PubChem (CID 141223479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).