5-chloro-4-[2-[5-fluoro-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]pyrimidine

C18H11ClF5N3O2 — CID 151659011

About 5-chloro-4-[2-[5-fluoro-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]pyrimidine

5-chloro-4-[2-[5-fluoro-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]pyrimidine (PubChem CID 151659011) has the molecular formula C18H11ClF5N3O2 and a molecular weight of 431.75 g/mol. Its IUPAC name is 5-chloro-4-[2-[5-fluoro-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]pyrimidine.

Molecular Properties

• Compound Name: 5-chloro-4-[2-[5-fluoro-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]pyrimidine
• PubChem CID: 151659011
• Molecular Formula: C18H11ClF5N3O2
• Molecular Weight: 431.75 g/mol
• Exact Mass: 431.05
• IUPAC Name: 5-chloro-4-[2-[5-fluoro-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]pyrimidine
• SMILES: Fc1ccc(Oc2ncc(CCOc3ncncc3Cl)cc2F)cc1C(F)(F)F
• InChI: InChI=1S/C18H11ClF5N3O2/c19-13-8-25-9-27-16(13)28-4-3-10-5-15(21)17(26-7-10)29-11-1-2-14(20)12(6-11)18(22,23)24/h1-2,5-9H,3-4H2
• InChIKey: QWCYPHNMSDWNHX-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 57.13 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.75
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-[5-fluoro-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]pyrimidine?

The IUPAC name of 5-chloro-4-[2-[5-fluoro-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]pyrimidine (CID 151659011) is 5-chloro-4-[2-[5-fluoro-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]pyrimidine.

What is the SMILES notation for 5-chloro-4-[2-[5-fluoro-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]pyrimidine?

The canonical SMILES for 5-chloro-4-[2-[5-fluoro-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]pyrimidine is Fc1ccc(Oc2ncc(CCOc3ncncc3Cl)cc2F)cc1C(F)(F)F.

What is the InChIKey of 5-chloro-4-[2-[5-fluoro-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]pyrimidine?

The InChIKey is QWCYPHNMSDWNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF5N3O2/c19-13-8-25-9-27-16(13)28-4-3-10-5-15(21)17(26-7-10)29-11-1-2-14(20)12(6-11)18(22,23)24/h1-2,5-9H,3-4H2.

What are the key properties of 5-chloro-4-[2-[5-fluoro-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]pyrimidine?

5-chloro-4-[2-[5-fluoro-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]pyrimidine has a molecular weight of 431.75 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-4-[2-[5-fluoro-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]pyrimidine is sourced from PubChem (CID 151659011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).