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

C21H14F3N3O — CID 10199830

IUPAC5-[3-(pyridin-2-ylmethoxy)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine
SMILESFC(F)(F)c1ccc2c(-c3cccc(OCc4ccccn4)c3)ccnc2n1
InChIInChI=1S/C21H14F3N3O/c22-21(23,24)19-8-7-18-17(9-11-26-20(18)27-19)14-4-3-6-16(12-14)28-13-15-5-1-2-10-25-15/h1-12H,13H2
InChIKeyQQZZMLDZWVKWQI-UHFFFAOYSA-N
MW381.36 g/mol
LogP5.29
Rot. Bonds4

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

5-[3-(pyridin-2-ylmethoxy)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine (PubChem CID 10199830) has the molecular formula C21H14F3N3O and a molecular weight of 381.36 g/mol. Its IUPAC name is 5-[3-(pyridin-2-ylmethoxy)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine.

Molecular Properties

Compound Name5-[3-(pyridin-2-ylmethoxy)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine
PubChem CID10199830
Molecular FormulaC21H14F3N3O
Molecular Weight381.36 g/mol
Exact Mass381.11
IUPAC Name5-[3-(pyridin-2-ylmethoxy)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine
SMILESFC(F)(F)c1ccc2c(-c3cccc(OCc4ccccn4)c3)ccnc2n1
InChIInChI=1S/C21H14F3N3O/c22-21(23,24)19-8-7-18-17(9-11-26-20(18)27-19)14-4-3-6-16(12-14)28-13-15-5-1-2-10-25-15/h1-12H,13H2
InChIKeyQQZZMLDZWVKWQI-UHFFFAOYSA-N
XLogP5.29
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.36
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(pyridin-2-ylmethoxy)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine?
The IUPAC name of 5-[3-(pyridin-2-ylmethoxy)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine (CID 10199830) is 5-[3-(pyridin-2-ylmethoxy)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine.
What is the SMILES notation for 5-[3-(pyridin-2-ylmethoxy)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine?
The canonical SMILES for 5-[3-(pyridin-2-ylmethoxy)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine is FC(F)(F)c1ccc2c(-c3cccc(OCc4ccccn4)c3)ccnc2n1.
What is the InChIKey of 5-[3-(pyridin-2-ylmethoxy)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine?
The InChIKey is QQZZMLDZWVKWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O/c22-21(23,24)19-8-7-18-17(9-11-26-20(18)27-19)14-4-3-6-16(12-14)28-13-15-5-1-2-10-25-15/h1-12H,13H2.
What are the key properties of 5-[3-(pyridin-2-ylmethoxy)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine?
5-[3-(pyridin-2-ylmethoxy)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine has a molecular weight of 381.36 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(pyridin-2-ylmethoxy)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine is sourced from PubChem (CID 10199830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).