5-[4-fluoro-3-(pyridin-3-ylmethoxy)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine

C21H13F4N3O — CID 10222550

IUPAC5-[4-fluoro-3-(pyridin-3-ylmethoxy)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine
SMILESFc1ccc(-c2ccnc3nc(C(F)(F)F)ccc23)cc1OCc1cccnc1
InChIInChI=1S/C21H13F4N3O/c22-17-5-3-14(10-18(17)29-12-13-2-1-8-26-11-13)15-7-9-27-20-16(15)4-6-19(28-20)21(23,24)25/h1-11H,12H2
InChIKeyAGLMGJGCFQBKQL-UHFFFAOYSA-N
MW399.35 g/mol
LogP5.43
Rot. Bonds4

About 5-[4-fluoro-3-(pyridin-3-ylmethoxy)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine

5-[4-fluoro-3-(pyridin-3-ylmethoxy)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine (PubChem CID 10222550) has the molecular formula C21H13F4N3O and a molecular weight of 399.35 g/mol. Its IUPAC name is 5-[4-fluoro-3-(pyridin-3-ylmethoxy)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine.

Molecular Properties

Compound Name5-[4-fluoro-3-(pyridin-3-ylmethoxy)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine
PubChem CID10222550
Molecular FormulaC21H13F4N3O
Molecular Weight399.35 g/mol
Exact Mass399.10
IUPAC Name5-[4-fluoro-3-(pyridin-3-ylmethoxy)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine
SMILESFc1ccc(-c2ccnc3nc(C(F)(F)F)ccc23)cc1OCc1cccnc1
InChIInChI=1S/C21H13F4N3O/c22-17-5-3-14(10-18(17)29-12-13-2-1-8-26-11-13)15-7-9-27-20-16(15)4-6-19(28-20)21(23,24)25/h1-11H,12H2
InChIKeyAGLMGJGCFQBKQL-UHFFFAOYSA-N
XLogP5.43
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.35
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-3-(pyridin-3-ylmethoxy)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine?
The IUPAC name of 5-[4-fluoro-3-(pyridin-3-ylmethoxy)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine (CID 10222550) is 5-[4-fluoro-3-(pyridin-3-ylmethoxy)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine.
What is the SMILES notation for 5-[4-fluoro-3-(pyridin-3-ylmethoxy)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine?
The canonical SMILES for 5-[4-fluoro-3-(pyridin-3-ylmethoxy)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine is Fc1ccc(-c2ccnc3nc(C(F)(F)F)ccc23)cc1OCc1cccnc1.
What is the InChIKey of 5-[4-fluoro-3-(pyridin-3-ylmethoxy)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine?
The InChIKey is AGLMGJGCFQBKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F4N3O/c22-17-5-3-14(10-18(17)29-12-13-2-1-8-26-11-13)15-7-9-27-20-16(15)4-6-19(28-20)21(23,24)25/h1-11H,12H2.
What are the key properties of 5-[4-fluoro-3-(pyridin-3-ylmethoxy)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine?
5-[4-fluoro-3-(pyridin-3-ylmethoxy)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine has a molecular weight of 399.35 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-3-(pyridin-3-ylmethoxy)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine is sourced from PubChem (CID 10222550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).