7-chloro-1-(2,4-difluorophenyl)-2-methylsulfanyl-1,8-naphthyridin-4-one

C15H9ClF2N2OS — CID 135020418

IUPAC7-chloro-1-(2,4-difluorophenyl)-2-methylsulfanyl-1,8-naphthyridin-4-one
SMILESCSc1cc(=O)c2ccc(Cl)nc2n1-c1ccc(F)cc1F
InChIInChI=1S/C15H9ClF2N2OS/c1-22-14-7-12(21)9-3-5-13(16)19-15(9)20(14)11-4-2-8(17)6-10(11)18/h2-7H,1H3
InChIKeyBRPHIXJZDRNOKI-UHFFFAOYSA-N
MW338.77 g/mol
LogP4.04
Rot. Bonds2

About 7-chloro-1-(2,4-difluorophenyl)-2-methylsulfanyl-1,8-naphthyridin-4-one

7-chloro-1-(2,4-difluorophenyl)-2-methylsulfanyl-1,8-naphthyridin-4-one (PubChem CID 135020418) has the molecular formula C15H9ClF2N2OS and a molecular weight of 338.77 g/mol. Its IUPAC name is 7-chloro-1-(2,4-difluorophenyl)-2-methylsulfanyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-chloro-1-(2,4-difluorophenyl)-2-methylsulfanyl-1,8-naphthyridin-4-one
PubChem CID135020418
Molecular FormulaC15H9ClF2N2OS
Molecular Weight338.77 g/mol
Exact Mass338.01
IUPAC Name7-chloro-1-(2,4-difluorophenyl)-2-methylsulfanyl-1,8-naphthyridin-4-one
SMILESCSc1cc(=O)c2ccc(Cl)nc2n1-c1ccc(F)cc1F
InChIInChI=1S/C15H9ClF2N2OS/c1-22-14-7-12(21)9-3-5-13(16)19-15(9)20(14)11-4-2-8(17)6-10(11)18/h2-7H,1H3
InChIKeyBRPHIXJZDRNOKI-UHFFFAOYSA-N
XLogP4.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 7-chloro-1-(2,4-difluorophenyl)-2-methylsulfanyl-1,8-naphthyridin-4-one?
The IUPAC name of 7-chloro-1-(2,4-difluorophenyl)-2-methylsulfanyl-1,8-naphthyridin-4-one (CID 135020418) is 7-chloro-1-(2,4-difluorophenyl)-2-methylsulfanyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-chloro-1-(2,4-difluorophenyl)-2-methylsulfanyl-1,8-naphthyridin-4-one?
The canonical SMILES for 7-chloro-1-(2,4-difluorophenyl)-2-methylsulfanyl-1,8-naphthyridin-4-one is CSc1cc(=O)c2ccc(Cl)nc2n1-c1ccc(F)cc1F.
What is the InChIKey of 7-chloro-1-(2,4-difluorophenyl)-2-methylsulfanyl-1,8-naphthyridin-4-one?
The InChIKey is BRPHIXJZDRNOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2OS/c1-22-14-7-12(21)9-3-5-13(16)19-15(9)20(14)11-4-2-8(17)6-10(11)18/h2-7H,1H3.
What are the key properties of 7-chloro-1-(2,4-difluorophenyl)-2-methylsulfanyl-1,8-naphthyridin-4-one?
7-chloro-1-(2,4-difluorophenyl)-2-methylsulfanyl-1,8-naphthyridin-4-one has a molecular weight of 338.77 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2,4-difluorophenyl)-2-methylsulfanyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 135020418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).