2,2,4-trimethyl-6-[3-(trifluoromethyl)phenoxy]-1H-1,5-naphthyridine

C18H17F3N2O — CID 13268124

IUPAC2,2,4-trimethyl-6-[3-(trifluoromethyl)phenoxy]-1H-1,5-naphthyridine
SMILESCC1=CC(C)(C)Nc2ccc(Oc3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C18H17F3N2O/c1-11-10-17(2,3)23-14-7-8-15(22-16(11)14)24-13-6-4-5-12(9-13)18(19,20)21/h4-10,23H,1-3H3
InChIKeyCGPCLOUINQBICN-UHFFFAOYSA-N
MW334.34 g/mol
LogP5.50
Rot. Bonds2

About 2,2,4-trimethyl-6-[3-(trifluoromethyl)phenoxy]-1H-1,5-naphthyridine

2,2,4-trimethyl-6-[3-(trifluoromethyl)phenoxy]-1H-1,5-naphthyridine (PubChem CID 13268124) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is 2,2,4-trimethyl-6-[3-(trifluoromethyl)phenoxy]-1H-1,5-naphthyridine.

Molecular Properties

Compound Name2,2,4-trimethyl-6-[3-(trifluoromethyl)phenoxy]-1H-1,5-naphthyridine
PubChem CID13268124
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name2,2,4-trimethyl-6-[3-(trifluoromethyl)phenoxy]-1H-1,5-naphthyridine
SMILESCC1=CC(C)(C)Nc2ccc(Oc3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C18H17F3N2O/c1-11-10-17(2,3)23-14-7-8-15(22-16(11)14)24-13-6-4-5-12(9-13)18(19,20)21/h4-10,23H,1-3H3
InChIKeyCGPCLOUINQBICN-UHFFFAOYSA-N
XLogP5.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.34
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-6-[3-(trifluoromethyl)phenoxy]-1H-1,5-naphthyridine?
The IUPAC name of 2,2,4-trimethyl-6-[3-(trifluoromethyl)phenoxy]-1H-1,5-naphthyridine (CID 13268124) is 2,2,4-trimethyl-6-[3-(trifluoromethyl)phenoxy]-1H-1,5-naphthyridine.
What is the SMILES notation for 2,2,4-trimethyl-6-[3-(trifluoromethyl)phenoxy]-1H-1,5-naphthyridine?
The canonical SMILES for 2,2,4-trimethyl-6-[3-(trifluoromethyl)phenoxy]-1H-1,5-naphthyridine is CC1=CC(C)(C)Nc2ccc(Oc3cccc(C(F)(F)F)c3)nc21.
What is the InChIKey of 2,2,4-trimethyl-6-[3-(trifluoromethyl)phenoxy]-1H-1,5-naphthyridine?
The InChIKey is CGPCLOUINQBICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O/c1-11-10-17(2,3)23-14-7-8-15(22-16(11)14)24-13-6-4-5-12(9-13)18(19,20)21/h4-10,23H,1-3H3.
What are the key properties of 2,2,4-trimethyl-6-[3-(trifluoromethyl)phenoxy]-1H-1,5-naphthyridine?
2,2,4-trimethyl-6-[3-(trifluoromethyl)phenoxy]-1H-1,5-naphthyridine has a molecular weight of 334.34 g/mol, XLogP of 5.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-6-[3-(trifluoromethyl)phenoxy]-1H-1,5-naphthyridine is sourced from PubChem (CID 13268124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).