(2,6-difluoro-4-pyridinyl)-[5-hydroxy-3-methyl-1-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]methanone;zinc

C16H6F8N4O2Zn — CID 177064863

About (2,6-difluoro-4-pyridinyl)-[5-hydroxy-3-methyl-1-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]methanone;zinc

(2,6-difluoro-4-pyridinyl)-[5-hydroxy-3-methyl-1-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]methanone;zinc (PubChem CID 177064863) has the molecular formula C16H6F8N4O2Zn and a molecular weight of 503.62 g/mol. Its IUPAC name is (2,6-difluoro-4-pyridinyl)-[5-hydroxy-3-methyl-1-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]methanone;zinc.

Molecular Properties

• Compound Name: (2,6-difluoro-4-pyridinyl)-[5-hydroxy-3-methyl-1-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]methanone;zinc
• PubChem CID: 177064863
• Molecular Formula: C16H6F8N4O2Zn
• Molecular Weight: 503.62 g/mol
• Exact Mass: 501.97
• IUPAC Name: (2,6-difluoro-4-pyridinyl)-[5-hydroxy-3-methyl-1-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]methanone;zinc
• SMILES: Cc1nn(-c2c(F)c(F)nc(C(F)(F)F)c2F)c(O)c1C(=O)c1cc(F)nc(F)c1.[Zn]
• InChI: InChI=1S/C16H6F8N4O2.Zn/c1-4-8(12(29)5-2-6(17)25-7(18)3-5)15(30)28(27-4)11-9(19)13(16(22,23)24)26-14(21)10(11)20;/h2-3,30H,1H3
• InChIKey: RHTKTYABHVTDTG-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 80.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.62
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-4-pyridinyl)-[5-hydroxy-3-methyl-1-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]methanone;zinc?

The IUPAC name of (2,6-difluoro-4-pyridinyl)-[5-hydroxy-3-methyl-1-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]methanone;zinc (CID 177064863) is (2,6-difluoro-4-pyridinyl)-[5-hydroxy-3-methyl-1-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]methanone;zinc.

What is the SMILES notation for (2,6-difluoro-4-pyridinyl)-[5-hydroxy-3-methyl-1-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]methanone;zinc?

The canonical SMILES for (2,6-difluoro-4-pyridinyl)-[5-hydroxy-3-methyl-1-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]methanone;zinc is Cc1nn(-c2c(F)c(F)nc(C(F)(F)F)c2F)c(O)c1C(=O)c1cc(F)nc(F)c1.[Zn].

What is the InChIKey of (2,6-difluoro-4-pyridinyl)-[5-hydroxy-3-methyl-1-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]methanone;zinc?

The InChIKey is RHTKTYABHVTDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H6F8N4O2.Zn/c1-4-8(12(29)5-2-6(17)25-7(18)3-5)15(30)28(27-4)11-9(19)13(16(22,23)24)26-14(21)10(11)20;/h2-3,30H,1H3;.

What are the key properties of (2,6-difluoro-4-pyridinyl)-[5-hydroxy-3-methyl-1-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]methanone;zinc?

(2,6-difluoro-4-pyridinyl)-[5-hydroxy-3-methyl-1-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]methanone;zinc has a molecular weight of 503.62 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2,6-difluoro-4-pyridinyl)-[5-hydroxy-3-methyl-1-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]methanone;zinc is sourced from PubChem (CID 177064863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).