2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium

C43H31BrF10N6Pd — CID 159260015

About 2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium

2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium (PubChem CID 159260015) has the molecular formula C43H31BrF10N6Pd and a molecular weight of 1008.07 g/mol. Its IUPAC name is 2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium.

Molecular Properties

• Compound Name: 2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium
• PubChem CID: 159260015
• Molecular Formula: C43H31BrF10N6Pd
• Molecular Weight: 1008.07 g/mol
• Exact Mass: 1006.07
• IUPAC Name: 2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium
• SMILES: Cc1ccc(C(F)(F)F)nc1.Fc1cccc(F)c1C1=NC(c2ccc(-c3ccc(C(F)(F)F)nc3)nc2)CC1.Fc1cccc(F)c1C1=NC(c2ccc(Br)nc2)CC1.[Pd]
• InChI: InChI=1S/C21H14F5N3.C15H11BrF2N2.C7H6F3N.Pd/c22-14-2-1-3-15(23)20(14)18-8-7-17(29-18)13-4-6-16(27-10-13)12-5-9-19(28-11-12)21(24,25)26;16-14-7-4-9(8-19-14)12-5-6-13(20-12)15-10(17)2-1-3-11(15)18;1-5-2-3-6(11-4-5)7(8,9)10;/h1-6,9-11,17H,7-8H2;1-4,7-8,12H,5-6H2;2-4H,1H3
• InChIKey: KWJQHRNZDWIBCG-UHFFFAOYSA-N
• XLogP: 12.62
• TPSA: 76.28 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1008.07
LogP ≤ 5	12.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium?

The IUPAC name of 2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium (CID 159260015) is 2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium.

What is the SMILES notation for 2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium?

The canonical SMILES for 2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium is Cc1ccc(C(F)(F)F)nc1.Fc1cccc(F)c1C1=NC(c2ccc(-c3ccc(C(F)(F)F)nc3)nc2)CC1.Fc1cccc(F)c1C1=NC(c2ccc(Br)nc2)CC1.[Pd].

What is the InChIKey of 2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium?

The InChIKey is KWJQHRNZDWIBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F5N3.C15H11BrF2N2.C7H6F3N.Pd/c22-14-2-1-3-15(23)20(14)18-8-7-17(29-18)13-4-6-16(27-10-13)12-5-9-19(28-11-12)21(24,25)26;16-14-7-4-9(8-19-14)12-5-6-13(20-12)15-10(17)2-1-3-11(15)18;1-5-2-3-6(11-4-5)7(8,9)10;/h1-6,9-11,17H,7-8H2;1-4,7-8,12H,5-6H2;2-4H,1H3;.

What are the key properties of 2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium?

2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium has a molecular weight of 1008.07 g/mol, XLogP of 12.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyridine;palladium is sourced from PubChem (CID 159260015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).