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

C17H10F6N2O2 — CID 2766501

IUPAC7-(4-methoxyphenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine
SMILESCOc1ccc(Oc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1
InChIInChI=1S/C17H10F6N2O2/c1-26-9-2-4-10(5-3-9)27-14-7-6-11-12(16(18,19)20)8-13(17(21,22)23)24-15(11)25-14/h2-8H,1H3
InChIKeyNZQYRRMNESEMHS-UHFFFAOYSA-N
MW388.27 g/mol
LogP5.47
Rot. Bonds3

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

7-(4-methoxyphenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine (PubChem CID 2766501) has the molecular formula C17H10F6N2O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is 7-(4-methoxyphenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine.

Molecular Properties

Compound Name7-(4-methoxyphenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine
PubChem CID2766501
Molecular FormulaC17H10F6N2O2
Molecular Weight388.27 g/mol
Exact Mass388.06
IUPAC Name7-(4-methoxyphenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine
SMILESCOc1ccc(Oc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1
InChIInChI=1S/C17H10F6N2O2/c1-26-9-2-4-10(5-3-9)27-14-7-6-11-12(16(18,19)20)8-13(17(21,22)23)24-15(11)25-14/h2-8H,1H3
InChIKeyNZQYRRMNESEMHS-UHFFFAOYSA-N
XLogP5.47
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.27
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
The IUPAC name of 7-(4-methoxyphenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine (CID 2766501) is 7-(4-methoxyphenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine.
What is the SMILES notation for 7-(4-methoxyphenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
The canonical SMILES for 7-(4-methoxyphenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine is COc1ccc(Oc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1.
What is the InChIKey of 7-(4-methoxyphenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
The InChIKey is NZQYRRMNESEMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F6N2O2/c1-26-9-2-4-10(5-3-9)27-14-7-6-11-12(16(18,19)20)8-13(17(21,22)23)24-15(11)25-14/h2-8H,1H3.
What are the key properties of 7-(4-methoxyphenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
7-(4-methoxyphenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine has a molecular weight of 388.27 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine is sourced from PubChem (CID 2766501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).