7-(4-chlorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine

C16H7ClF6N2O — CID 2764738

IUPAC7-(4-chlorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine
SMILESFC(F)(F)c1cc(C(F)(F)F)c2ccc(Oc3ccc(Cl)cc3)nc2n1
InChIInChI=1S/C16H7ClF6N2O/c17-8-1-3-9(4-2-8)26-13-6-5-10-11(15(18,19)20)7-12(16(21,22)23)24-14(10)25-13/h1-7H
InChIKeyZMMILTKMVWAADA-UHFFFAOYSA-N
MW392.69 g/mol
LogP6.11
Rot. Bonds2

About 7-(4-chlorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine

7-(4-chlorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine (PubChem CID 2764738) has the molecular formula C16H7ClF6N2O and a molecular weight of 392.69 g/mol. Its IUPAC name is 7-(4-chlorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine.

Molecular Properties

Compound Name7-(4-chlorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine
PubChem CID2764738
Molecular FormulaC16H7ClF6N2O
Molecular Weight392.69 g/mol
Exact Mass392.02
IUPAC Name7-(4-chlorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine
SMILESFC(F)(F)c1cc(C(F)(F)F)c2ccc(Oc3ccc(Cl)cc3)nc2n1
InChIInChI=1S/C16H7ClF6N2O/c17-8-1-3-9(4-2-8)26-13-6-5-10-11(15(18,19)20)7-12(16(21,22)23)24-14(10)25-13/h1-7H
InChIKeyZMMILTKMVWAADA-UHFFFAOYSA-N
XLogP6.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.69
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(4-chlorophenoxy)-2,4-bis(trifluoromethyl)-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 7-(4-chlorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
The IUPAC name of 7-(4-chlorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine (CID 2764738) is 7-(4-chlorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine.
What is the SMILES notation for 7-(4-chlorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
The canonical SMILES for 7-(4-chlorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine is FC(F)(F)c1cc(C(F)(F)F)c2ccc(Oc3ccc(Cl)cc3)nc2n1.
What is the InChIKey of 7-(4-chlorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
The InChIKey is ZMMILTKMVWAADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7ClF6N2O/c17-8-1-3-9(4-2-8)26-13-6-5-10-11(15(18,19)20)7-12(16(21,22)23)24-14(10)25-13/h1-7H.
What are the key properties of 7-(4-chlorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
7-(4-chlorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine has a molecular weight of 392.69 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine is sourced from PubChem (CID 2764738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).