5,6-difluoro-3-methyl-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one

C10H5F5N2O — CID 118004970

IUPAC5,6-difluoro-3-methyl-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one
SMILESCc1cc2c(F)c(F)c(C(F)(F)F)nc2[nH]c1=O
InChIInChI=1S/C10H5F5N2O/c1-3-2-4-5(11)6(12)7(10(13,14)15)16-8(4)17-9(3)18/h2H,1H3,(H,16,17,18)
InChIKeyZBJAKZKMRSHVGP-UHFFFAOYSA-N
MW264.15 g/mol
LogP2.53
Rot. Bonds

About 5,6-difluoro-3-methyl-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one

5,6-difluoro-3-methyl-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one (PubChem CID 118004970) has the molecular formula C10H5F5N2O and a molecular weight of 264.15 g/mol. Its IUPAC name is 5,6-difluoro-3-methyl-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5,6-difluoro-3-methyl-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one
PubChem CID118004970
Molecular FormulaC10H5F5N2O
Molecular Weight264.15 g/mol
Exact Mass264.03
IUPAC Name5,6-difluoro-3-methyl-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one
SMILESCc1cc2c(F)c(F)c(C(F)(F)F)nc2[nH]c1=O
InChIInChI=1S/C10H5F5N2O/c1-3-2-4-5(11)6(12)7(10(13,14)15)16-8(4)17-9(3)18/h2H,1H3,(H,16,17,18)
InChIKeyZBJAKZKMRSHVGP-UHFFFAOYSA-N
XLogP2.53
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-3-methyl-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5,6-difluoro-3-methyl-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one (CID 118004970) is 5,6-difluoro-3-methyl-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5,6-difluoro-3-methyl-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5,6-difluoro-3-methyl-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one is Cc1cc2c(F)c(F)c(C(F)(F)F)nc2[nH]c1=O.
What is the InChIKey of 5,6-difluoro-3-methyl-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one?
The InChIKey is ZBJAKZKMRSHVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F5N2O/c1-3-2-4-5(11)6(12)7(10(13,14)15)16-8(4)17-9(3)18/h2H,1H3,(H,16,17,18).
What are the key properties of 5,6-difluoro-3-methyl-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one?
5,6-difluoro-3-methyl-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one has a molecular weight of 264.15 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-3-methyl-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 118004970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).