5,7-dimethyl-2-(trifluoromethyl)-1H-1,8-naphthyridin-4-one

C11H9F3N2O — CID 54540552

IUPAC5,7-dimethyl-2-(trifluoromethyl)-1H-1,8-naphthyridin-4-one
SMILESCc1cc(C)c2c(=O)cc(C(F)(F)F)[nH]c2n1
InChIInChI=1S/C11H9F3N2O/c1-5-3-6(2)15-10-9(5)7(17)4-8(16-10)11(12,13)14/h3-4H,1-2H3,(H,15,16,17)
InChIKeyZCWNSWLMVGSDQM-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.56
Rot. Bonds

About 5,7-dimethyl-2-(trifluoromethyl)-1H-1,8-naphthyridin-4-one

5,7-dimethyl-2-(trifluoromethyl)-1H-1,8-naphthyridin-4-one (PubChem CID 54540552) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 5,7-dimethyl-2-(trifluoromethyl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name5,7-dimethyl-2-(trifluoromethyl)-1H-1,8-naphthyridin-4-one
PubChem CID54540552
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name5,7-dimethyl-2-(trifluoromethyl)-1H-1,8-naphthyridin-4-one
SMILESCc1cc(C)c2c(=O)cc(C(F)(F)F)[nH]c2n1
InChIInChI=1S/C11H9F3N2O/c1-5-3-6(2)15-10-9(5)7(17)4-8(16-10)11(12,13)14/h3-4H,1-2H3,(H,15,16,17)
InChIKeyZCWNSWLMVGSDQM-UHFFFAOYSA-N
XLogP2.56
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-(trifluoromethyl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 5,7-dimethyl-2-(trifluoromethyl)-1H-1,8-naphthyridin-4-one (CID 54540552) is 5,7-dimethyl-2-(trifluoromethyl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 5,7-dimethyl-2-(trifluoromethyl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 5,7-dimethyl-2-(trifluoromethyl)-1H-1,8-naphthyridin-4-one is Cc1cc(C)c2c(=O)cc(C(F)(F)F)[nH]c2n1.
What is the InChIKey of 5,7-dimethyl-2-(trifluoromethyl)-1H-1,8-naphthyridin-4-one?
The InChIKey is ZCWNSWLMVGSDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-5-3-6(2)15-10-9(5)7(17)4-8(16-10)11(12,13)14/h3-4H,1-2H3,(H,15,16,17).
What are the key properties of 5,7-dimethyl-2-(trifluoromethyl)-1H-1,8-naphthyridin-4-one?
5,7-dimethyl-2-(trifluoromethyl)-1H-1,8-naphthyridin-4-one has a molecular weight of 242.20 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-(trifluoromethyl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 54540552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).