4-chloro-2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-1,6-naphthyridine

C22H11ClF6N2O2 — CID 169249618

IUPAC4-chloro-2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-1,6-naphthyridine
SMILESCOc1c(Oc2cc(C(F)(F)F)c(F)cc2-c2cc(Cl)c3cnccc3n2)ccc(F)c1F
InChIInChI=1S/C22H11ClF6N2O2/c1-32-21-18(3-2-14(24)20(21)26)33-19-7-12(22(27,28)29)15(25)6-10(19)17-8-13(23)11-9-30-5-4-16(11)31-17/h2-9H,1H3
InChIKeyGDDCEDHJIDMMHU-UHFFFAOYSA-N
MW484.78 g/mol
LogP7.19
Rot. Bonds4

About 4-chloro-2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-1,6-naphthyridine

4-chloro-2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-1,6-naphthyridine (PubChem CID 169249618) has the molecular formula C22H11ClF6N2O2 and a molecular weight of 484.78 g/mol. Its IUPAC name is 4-chloro-2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-1,6-naphthyridine.

Molecular Properties

Compound Name4-chloro-2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-1,6-naphthyridine
PubChem CID169249618
Molecular FormulaC22H11ClF6N2O2
Molecular Weight484.78 g/mol
Exact Mass484.04
IUPAC Name4-chloro-2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-1,6-naphthyridine
SMILESCOc1c(Oc2cc(C(F)(F)F)c(F)cc2-c2cc(Cl)c3cnccc3n2)ccc(F)c1F
InChIInChI=1S/C22H11ClF6N2O2/c1-32-21-18(3-2-14(24)20(21)26)33-19-7-12(22(27,28)29)15(25)6-10(19)17-8-13(23)11-9-30-5-4-16(11)31-17/h2-9H,1H3
InChIKeyGDDCEDHJIDMMHU-UHFFFAOYSA-N
XLogP7.19
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.78
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-1,6-naphthyridine?
The IUPAC name of 4-chloro-2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-1,6-naphthyridine (CID 169249618) is 4-chloro-2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-1,6-naphthyridine.
What is the SMILES notation for 4-chloro-2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-1,6-naphthyridine?
The canonical SMILES for 4-chloro-2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-1,6-naphthyridine is COc1c(Oc2cc(C(F)(F)F)c(F)cc2-c2cc(Cl)c3cnccc3n2)ccc(F)c1F.
What is the InChIKey of 4-chloro-2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-1,6-naphthyridine?
The InChIKey is GDDCEDHJIDMMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H11ClF6N2O2/c1-32-21-18(3-2-14(24)20(21)26)33-19-7-12(22(27,28)29)15(25)6-10(19)17-8-13(23)11-9-30-5-4-16(11)31-17/h2-9H,1H3.
What are the key properties of 4-chloro-2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-1,6-naphthyridine?
4-chloro-2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-1,6-naphthyridine has a molecular weight of 484.78 g/mol, XLogP of 7.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-1,6-naphthyridine is sourced from PubChem (CID 169249618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).