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

C18H10Cl3F4N3O2 — CID 88532884

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

2,5-dichloro-4-[2-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-fluoro-3-pyridinyl]ethoxy]pyrimidine (PubChem CID 88532884) has the molecular formula C18H10Cl3F4N3O2 and a molecular weight of 482.65 g/mol. Its IUPAC name is 2,5-dichloro-4-[2-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-fluoro-3-pyridinyl]ethoxy]pyrimidine.

Molecular Properties

• Compound Name: 2,5-dichloro-4-[2-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-fluoro-3-pyridinyl]ethoxy]pyrimidine
• PubChem CID: 88532884
• Molecular Formula: C18H10Cl3F4N3O2
• Molecular Weight: 482.65 g/mol
• Exact Mass: 480.98
• IUPAC Name: 2,5-dichloro-4-[2-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-fluoro-3-pyridinyl]ethoxy]pyrimidine
• SMILES: Fc1cc(CCOc2nc(Cl)ncc2Cl)cnc1Oc1ccc(Cl)c(C(F)(F)F)c1
• InChI: InChI=1S/C18H10Cl3F4N3O2/c19-12-2-1-10(6-11(12)18(23,24)25)30-16-14(22)5-9(7-26-16)3-4-29-15-13(20)8-27-17(21)28-15/h1-2,5-8H,3-4H2
• InChIKey: OVPBTEFQDWTRNP-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 57.13 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.65
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2,5-dichloro-4-[2-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-fluoro-3-pyridinyl]ethoxy]pyrimidine (CID 88532884) is 2,5-dichloro-4-[2-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-fluoro-3-pyridinyl]ethoxy]pyrimidine.

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

The canonical SMILES for 2,5-dichloro-4-[2-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-fluoro-3-pyridinyl]ethoxy]pyrimidine is Fc1cc(CCOc2nc(Cl)ncc2Cl)cnc1Oc1ccc(Cl)c(C(F)(F)F)c1.

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

The InChIKey is OVPBTEFQDWTRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl3F4N3O2/c19-12-2-1-10(6-11(12)18(23,24)25)30-16-14(22)5-9(7-26-16)3-4-29-15-13(20)8-27-17(21)28-15/h1-2,5-8H,3-4H2.

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

2,5-dichloro-4-[2-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-fluoro-3-pyridinyl]ethoxy]pyrimidine has a molecular weight of 482.65 g/mol, XLogP of 6.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dichloro-4-[2-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-fluoro-3-pyridinyl]ethoxy]pyrimidine is sourced from PubChem (CID 88532884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).