2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide

C19H9ClF7N3O3 — CID 151376738

About 2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide

2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 151376738) has the molecular formula C19H9ClF7N3O3 and a molecular weight of 495.74 g/mol. Its IUPAC name is 2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
• PubChem CID: 151376738
• Molecular Formula: C19H9ClF7N3O3
• Molecular Weight: 495.74 g/mol
• Exact Mass: 495.02
• IUPAC Name: 2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
• SMILES: O=C(Nc1ccc(F)nc1)c1cc(C(F)(F)F)cnc1Oc1ccc(OC(F)(F)F)cc1Cl
• InChI: InChI=1S/C19H9ClF7N3O3/c20-13-6-11(33-19(25,26)27)2-3-14(13)32-17-12(5-9(7-29-17)18(22,23)24)16(31)30-10-1-4-15(21)28-8-10/h1-8H,(H,30,31)
• InChIKey: OROFZCOAWNTUFP-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 73.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.74
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?

The IUPAC name of 2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (CID 151376738) is 2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.

What is the SMILES notation for 2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?

The canonical SMILES for 2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is O=C(Nc1ccc(F)nc1)c1cc(C(F)(F)F)cnc1Oc1ccc(OC(F)(F)F)cc1Cl.

What is the InChIKey of 2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?

The InChIKey is OROFZCOAWNTUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9ClF7N3O3/c20-13-6-11(33-19(25,26)27)2-3-14(13)32-17-12(5-9(7-29-17)18(22,23)24)16(31)30-10-1-4-15(21)28-8-10/h1-8H,(H,30,31).

What are the key properties of 2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?

2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 495.74 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 151376738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).