2,4-bis(trifluoromethyl)-7-[3-(trifluoromethyl)phenoxy]-1,8-naphthyridine

C17H7F9N2O — CID 2768569

IUPAC2,4-bis(trifluoromethyl)-7-[3-(trifluoromethyl)phenoxy]-1,8-naphthyridine
SMILESFC(F)(F)c1cccc(Oc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)c1
InChIInChI=1S/C17H7F9N2O/c18-15(19,20)8-2-1-3-9(6-8)29-13-5-4-10-11(16(21,22)23)7-12(17(24,25)26)27-14(10)28-13/h1-7H
InChIKeyPADXYYGFOOEZSF-UHFFFAOYSA-N
MW426.24 g/mol
LogP6.48
Rot. Bonds2

About 2,4-bis(trifluoromethyl)-7-[3-(trifluoromethyl)phenoxy]-1,8-naphthyridine

2,4-bis(trifluoromethyl)-7-[3-(trifluoromethyl)phenoxy]-1,8-naphthyridine (PubChem CID 2768569) has the molecular formula C17H7F9N2O and a molecular weight of 426.24 g/mol. Its IUPAC name is 2,4-bis(trifluoromethyl)-7-[3-(trifluoromethyl)phenoxy]-1,8-naphthyridine.

Molecular Properties

Compound Name2,4-bis(trifluoromethyl)-7-[3-(trifluoromethyl)phenoxy]-1,8-naphthyridine
PubChem CID2768569
Molecular FormulaC17H7F9N2O
Molecular Weight426.24 g/mol
Exact Mass426.04
IUPAC Name2,4-bis(trifluoromethyl)-7-[3-(trifluoromethyl)phenoxy]-1,8-naphthyridine
SMILESFC(F)(F)c1cccc(Oc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)c1
InChIInChI=1S/C17H7F9N2O/c18-15(19,20)8-2-1-3-9(6-8)29-13-5-4-10-11(16(21,22)23)7-12(17(24,25)26)27-14(10)28-13/h1-7H
InChIKeyPADXYYGFOOEZSF-UHFFFAOYSA-N
XLogP6.48
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.24
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-bis(trifluoromethyl)-7-[3-(trifluoromethyl)phenoxy]-1,8-naphthyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(trifluoromethyl)-7-[3-(trifluoromethyl)phenoxy]-1,8-naphthyridine?
The IUPAC name of 2,4-bis(trifluoromethyl)-7-[3-(trifluoromethyl)phenoxy]-1,8-naphthyridine (CID 2768569) is 2,4-bis(trifluoromethyl)-7-[3-(trifluoromethyl)phenoxy]-1,8-naphthyridine.
What is the SMILES notation for 2,4-bis(trifluoromethyl)-7-[3-(trifluoromethyl)phenoxy]-1,8-naphthyridine?
The canonical SMILES for 2,4-bis(trifluoromethyl)-7-[3-(trifluoromethyl)phenoxy]-1,8-naphthyridine is FC(F)(F)c1cccc(Oc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)c1.
What is the InChIKey of 2,4-bis(trifluoromethyl)-7-[3-(trifluoromethyl)phenoxy]-1,8-naphthyridine?
The InChIKey is PADXYYGFOOEZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H7F9N2O/c18-15(19,20)8-2-1-3-9(6-8)29-13-5-4-10-11(16(21,22)23)7-12(17(24,25)26)27-14(10)28-13/h1-7H.
What are the key properties of 2,4-bis(trifluoromethyl)-7-[3-(trifluoromethyl)phenoxy]-1,8-naphthyridine?
2,4-bis(trifluoromethyl)-7-[3-(trifluoromethyl)phenoxy]-1,8-naphthyridine has a molecular weight of 426.24 g/mol, XLogP of 6.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(trifluoromethyl)-7-[3-(trifluoromethyl)phenoxy]-1,8-naphthyridine is sourced from PubChem (CID 2768569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).