6-(4-chlorophenoxy)-3-[2-[(5-fluoroimidazol-1-yl)methyl]-1,3-dioxolan-2-yl]-2-(trifluoromethyl)pyridine

C19H14ClF4N3O3 — CID 134400475

About 6-(4-chlorophenoxy)-3-[2-[(5-fluoroimidazol-1-yl)methyl]-1,3-dioxolan-2-yl]-2-(trifluoromethyl)pyridine

6-(4-chlorophenoxy)-3-[2-[(5-fluoroimidazol-1-yl)methyl]-1,3-dioxolan-2-yl]-2-(trifluoromethyl)pyridine (PubChem CID 134400475) has the molecular formula C19H14ClF4N3O3 and a molecular weight of 443.78 g/mol. Its IUPAC name is 6-(4-chlorophenoxy)-3-[2-[(5-fluoroimidazol-1-yl)methyl]-1,3-dioxolan-2-yl]-2-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 6-(4-chlorophenoxy)-3-[2-[(5-fluoroimidazol-1-yl)methyl]-1,3-dioxolan-2-yl]-2-(trifluoromethyl)pyridine
• PubChem CID: 134400475
• Molecular Formula: C19H14ClF4N3O3
• Molecular Weight: 443.78 g/mol
• Exact Mass: 443.07
• IUPAC Name: 6-(4-chlorophenoxy)-3-[2-[(5-fluoroimidazol-1-yl)methyl]-1,3-dioxolan-2-yl]-2-(trifluoromethyl)pyridine
• SMILES: Fc1cncn1CC1(c2ccc(Oc3ccc(Cl)cc3)nc2C(F)(F)F)OCCO1
• InChI: InChI=1S/C19H14ClF4N3O3/c20-12-1-3-13(4-2-12)30-16-6-5-14(17(26-16)19(22,23)24)18(28-7-8-29-18)10-27-11-25-9-15(27)21/h1-6,9,11H,7-8,10H2
• InChIKey: TXVNOBOXHLWRRO-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 58.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.78
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenoxy)-3-[2-[(5-fluoroimidazol-1-yl)methyl]-1,3-dioxolan-2-yl]-2-(trifluoromethyl)pyridine?

The IUPAC name of 6-(4-chlorophenoxy)-3-[2-[(5-fluoroimidazol-1-yl)methyl]-1,3-dioxolan-2-yl]-2-(trifluoromethyl)pyridine (CID 134400475) is 6-(4-chlorophenoxy)-3-[2-[(5-fluoroimidazol-1-yl)methyl]-1,3-dioxolan-2-yl]-2-(trifluoromethyl)pyridine.

What is the SMILES notation for 6-(4-chlorophenoxy)-3-[2-[(5-fluoroimidazol-1-yl)methyl]-1,3-dioxolan-2-yl]-2-(trifluoromethyl)pyridine?

The canonical SMILES for 6-(4-chlorophenoxy)-3-[2-[(5-fluoroimidazol-1-yl)methyl]-1,3-dioxolan-2-yl]-2-(trifluoromethyl)pyridine is Fc1cncn1CC1(c2ccc(Oc3ccc(Cl)cc3)nc2C(F)(F)F)OCCO1.

What is the InChIKey of 6-(4-chlorophenoxy)-3-[2-[(5-fluoroimidazol-1-yl)methyl]-1,3-dioxolan-2-yl]-2-(trifluoromethyl)pyridine?

The InChIKey is TXVNOBOXHLWRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF4N3O3/c20-12-1-3-13(4-2-12)30-16-6-5-14(17(26-16)19(22,23)24)18(28-7-8-29-18)10-27-11-25-9-15(27)21/h1-6,9,11H,7-8,10H2.

What are the key properties of 6-(4-chlorophenoxy)-3-[2-[(5-fluoroimidazol-1-yl)methyl]-1,3-dioxolan-2-yl]-2-(trifluoromethyl)pyridine?

6-(4-chlorophenoxy)-3-[2-[(5-fluoroimidazol-1-yl)methyl]-1,3-dioxolan-2-yl]-2-(trifluoromethyl)pyridine has a molecular weight of 443.78 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-chlorophenoxy)-3-[2-[(5-fluoroimidazol-1-yl)methyl]-1,3-dioxolan-2-yl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 134400475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).