1,3-dimethyl-4-(trifluoromethyl)-1,5-naphthyridin-2-one

C11H9F3N2O — CID 59284015

IUPAC1,3-dimethyl-4-(trifluoromethyl)-1,5-naphthyridin-2-one
SMILESCc1c(C(F)(F)F)c2ncccc2n(C)c1=O
InChIInChI=1S/C11H9F3N2O/c1-6-8(11(12,13)14)9-7(4-3-5-15-9)16(2)10(6)17/h3-5H,1-2H3
InChIKeyGKNJYCUMYIQYGS-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.26
Rot. Bonds

About 1,3-dimethyl-4-(trifluoromethyl)-1,5-naphthyridin-2-one

1,3-dimethyl-4-(trifluoromethyl)-1,5-naphthyridin-2-one (PubChem CID 59284015) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 1,3-dimethyl-4-(trifluoromethyl)-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-4-(trifluoromethyl)-1,5-naphthyridin-2-one
PubChem CID59284015
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name1,3-dimethyl-4-(trifluoromethyl)-1,5-naphthyridin-2-one
SMILESCc1c(C(F)(F)F)c2ncccc2n(C)c1=O
InChIInChI=1S/C11H9F3N2O/c1-6-8(11(12,13)14)9-7(4-3-5-15-9)16(2)10(6)17/h3-5H,1-2H3
InChIKeyGKNJYCUMYIQYGS-UHFFFAOYSA-N
XLogP2.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(trifluoromethyl)-1,5-naphthyridin-2-one?
The IUPAC name of 1,3-dimethyl-4-(trifluoromethyl)-1,5-naphthyridin-2-one (CID 59284015) is 1,3-dimethyl-4-(trifluoromethyl)-1,5-naphthyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-4-(trifluoromethyl)-1,5-naphthyridin-2-one?
The canonical SMILES for 1,3-dimethyl-4-(trifluoromethyl)-1,5-naphthyridin-2-one is Cc1c(C(F)(F)F)c2ncccc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-4-(trifluoromethyl)-1,5-naphthyridin-2-one?
The InChIKey is GKNJYCUMYIQYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-6-8(11(12,13)14)9-7(4-3-5-15-9)16(2)10(6)17/h3-5H,1-2H3.
What are the key properties of 1,3-dimethyl-4-(trifluoromethyl)-1,5-naphthyridin-2-one?
1,3-dimethyl-4-(trifluoromethyl)-1,5-naphthyridin-2-one has a molecular weight of 242.20 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(trifluoromethyl)-1,5-naphthyridin-2-one is sourced from PubChem (CID 59284015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).