5,7-dimethyl-2-(trifluoromethyl)-3H-1,8-naphthyridin-4-one

C11H9F3N2O — CID 67908085

IUPAC5,7-dimethyl-2-(trifluoromethyl)-3H-1,8-naphthyridin-4-one
SMILESCc1cc(C)c2c(n1)N=C(C(F)(F)F)CC2=O
InChIInChI=1S/C11H9F3N2O/c1-5-3-6(2)15-10-9(5)7(17)4-8(16-10)11(12,13)14/h3H,4H2,1-2H3
InChIKeyQYJFUNABAPTFSS-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.92
Rot. Bonds

About 5,7-dimethyl-2-(trifluoromethyl)-3H-1,8-naphthyridin-4-one

5,7-dimethyl-2-(trifluoromethyl)-3H-1,8-naphthyridin-4-one (PubChem CID 67908085) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 5,7-dimethyl-2-(trifluoromethyl)-3H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name5,7-dimethyl-2-(trifluoromethyl)-3H-1,8-naphthyridin-4-one
PubChem CID67908085
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name5,7-dimethyl-2-(trifluoromethyl)-3H-1,8-naphthyridin-4-one
SMILESCc1cc(C)c2c(n1)N=C(C(F)(F)F)CC2=O
InChIInChI=1S/C11H9F3N2O/c1-5-3-6(2)15-10-9(5)7(17)4-8(16-10)11(12,13)14/h3H,4H2,1-2H3
InChIKeyQYJFUNABAPTFSS-UHFFFAOYSA-N
XLogP2.92
TPSA42.32 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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dimethylpyrido[2,3-d]pyrimidin-4(3H)-one
CID 135408240
2-Amino-4,6-dimethylpyridine-3-carboxamide
CID 252216
1-(2,4,6-Trimethylpyridin-3-yl)ethan-1-one
CID 268124
1,8-Naphthyridin-4-ol, 7-methyl-2-propyl-
CID 13155595
3-Acyl-2,6-diaminopyridine deriv. 3a
CID 5330840
3-Acyl-2,6-diaminopyridine deriv. 3b
CID 5330841
(2,6-Diaminopyridin-3-yl)(phenyl)methanone
CID 5330842
2-Phenyl-7-methyl-1,8-naphthyridine-4-ol
CID 5467768
7-Methyl-2-m-tolyl-1H-[1,8]naphthyridin-4-one
CID 5468782
2-(3-fluorophenyl)-7-methyl-1,8-naphthyridin-4(1H)-one
CID 5468784
2-(3-Fluoro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one
CID 5468785
2-(4-Fluorophenyl)-7-methyl-1,8-naphthyridin-4-ol
CID 5468910

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-(trifluoromethyl)-3H-1,8-naphthyridin-4-one?
The IUPAC name of 5,7-dimethyl-2-(trifluoromethyl)-3H-1,8-naphthyridin-4-one (CID 67908085) is 5,7-dimethyl-2-(trifluoromethyl)-3H-1,8-naphthyridin-4-one.
What is the SMILES notation for 5,7-dimethyl-2-(trifluoromethyl)-3H-1,8-naphthyridin-4-one?
The canonical SMILES for 5,7-dimethyl-2-(trifluoromethyl)-3H-1,8-naphthyridin-4-one is Cc1cc(C)c2c(n1)N=C(C(F)(F)F)CC2=O.
What is the InChIKey of 5,7-dimethyl-2-(trifluoromethyl)-3H-1,8-naphthyridin-4-one?
The InChIKey is QYJFUNABAPTFSS-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/h3H,4H2,1-2H3.
What are the key properties of 5,7-dimethyl-2-(trifluoromethyl)-3H-1,8-naphthyridin-4-one?
5,7-dimethyl-2-(trifluoromethyl)-3H-1,8-naphthyridin-4-one has a molecular weight of 242.20 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-(trifluoromethyl)-3H-1,8-naphthyridin-4-one is sourced from PubChem (CID 67908085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).