6-(3,4-difluorophenyl)-8-methyl-2H-2,7-naphthyridin-1-one

C15H10F2N2O — CID 11959542

IUPAC6-(3,4-difluorophenyl)-8-methyl-2H-2,7-naphthyridin-1-one
SMILESCc1nc(-c2ccc(F)c(F)c2)cc2cc[nH]c(=O)c12
InChIInChI=1S/C15H10F2N2O/c1-8-14-10(4-5-18-15(14)20)7-13(19-8)9-2-3-11(16)12(17)6-9/h2-7H,1H3,(H,18,20)
InChIKeyPMFOLXHYJIRNSX-UHFFFAOYSA-N
MW272.25 g/mol
LogP3.18
Rot. Bonds1

About 6-(3,4-difluorophenyl)-8-methyl-2H-2,7-naphthyridin-1-one

6-(3,4-difluorophenyl)-8-methyl-2H-2,7-naphthyridin-1-one (PubChem CID 11959542) has the molecular formula C15H10F2N2O and a molecular weight of 272.25 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-8-methyl-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-8-methyl-2H-2,7-naphthyridin-1-one
PubChem CID11959542
Molecular FormulaC15H10F2N2O
Molecular Weight272.25 g/mol
Exact Mass272.08
IUPAC Name6-(3,4-difluorophenyl)-8-methyl-2H-2,7-naphthyridin-1-one
SMILESCc1nc(-c2ccc(F)c(F)c2)cc2cc[nH]c(=O)c12
InChIInChI=1S/C15H10F2N2O/c1-8-14-10(4-5-18-15(14)20)7-13(19-8)9-2-3-11(16)12(17)6-9/h2-7H,1H3,(H,18,20)
InChIKeyPMFOLXHYJIRNSX-UHFFFAOYSA-N
XLogP3.18
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-8-methyl-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(3,4-difluorophenyl)-8-methyl-2H-2,7-naphthyridin-1-one (CID 11959542) is 6-(3,4-difluorophenyl)-8-methyl-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(3,4-difluorophenyl)-8-methyl-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(3,4-difluorophenyl)-8-methyl-2H-2,7-naphthyridin-1-one is Cc1nc(-c2ccc(F)c(F)c2)cc2cc[nH]c(=O)c12.
What is the InChIKey of 6-(3,4-difluorophenyl)-8-methyl-2H-2,7-naphthyridin-1-one?
The InChIKey is PMFOLXHYJIRNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O/c1-8-14-10(4-5-18-15(14)20)7-13(19-8)9-2-3-11(16)12(17)6-9/h2-7H,1H3,(H,18,20).
What are the key properties of 6-(3,4-difluorophenyl)-8-methyl-2H-2,7-naphthyridin-1-one?
6-(3,4-difluorophenyl)-8-methyl-2H-2,7-naphthyridin-1-one has a molecular weight of 272.25 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-8-methyl-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 11959542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).