2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-(3-methyl-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(6-methyl-2-pyridinyl)-4H-pyridin-4-ide;tetrakis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);nonakis(iridium);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C125H74F23Ir9N22O3-11 — CID 158643199

About 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-(3-methyl-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(6-methyl-2-pyridinyl)-4H-pyridin-4-ide;tetrakis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);nonakis(iridium);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-(3-methyl-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(6-methyl-2-pyridinyl)-4H-pyridin-4-ide;tetrakis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);nonakis(iridium);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 158643199) has the molecular formula C125H74F23Ir9N22O3-11 and a molecular weight of 4099.02 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-(3-methyl-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(6-methyl-2-pyridinyl)-4H-pyridin-4-ide;tetrakis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);nonakis(iridium);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-(3-methyl-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(6-methyl-2-pyridinyl)-4H-pyridin-4-ide;tetrakis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);nonakis(iridium);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• PubChem CID: 158643199
• Molecular Formula: C125H74F23Ir9N22O3-11
• Molecular Weight: 4099.02 g/mol
• Exact Mass: 4104.27
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-(3-methyl-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(6-methyl-2-pyridinyl)-4H-pyridin-4-ide;tetrakis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);nonakis(iridium);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• SMILES: CN(C)c1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1cccc(-c2[c-]cc(F)nc2F)n1.Cc1cccnc1-c1[c-]cc(F)nc1F.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)n1.Fc1c[c-]c(-c2ccccn2)c(F)n1.Fc1c[c-]c(-c2ccccn2)c(F)n1.Fc1c[c-]c(-c2ccccn2)c(F)n1.O=C(O)c1ccccn1.OCc1ccnc(-c2[c-]cc(F)cc2F)c1.[C-]#[N+]c1c(F)c[c-]c(-c2ccccn2)c1F.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C13H11F2N2.C12H5F2N2.C12H8F2NO.2C11H7F2N2.C11H6F2N.4C10H5F2N2.C9H5F3N3.C6H5NO2.9Ir/c1-17(2)10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;1-15-12-9(13)6-5-8(11(12)14)10-4-2-3-7-16-10;13-9-1-2-10(11(14)6-9)12-5-8(7-16)3-4-15-12;1-7-3-2-6-14-10(7)8-4-5-9(12)15-11(8)13;1-7-3-2-4-9(14-7)8-5-6-10(12)15-11(8)13;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;4*11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;8-6(9)5-3-1-2-4-7-5;;;;;;;;;/h3,5-8H,1-2H3;2-4,6-7H;1,3-6,16H,7H2;2-3,5-6H,1H3;2-4,6H,1H3;1-4,6-7H;4*1-3,5-6H;1-5H;1-4H,(H,8,9);;;;;;;;;/q11*-1
• InChIKey: WRGSWVMFKSSAKE-UHFFFAOYSA-N
• XLogP: 28.24
• TPSA: 324.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 14
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4099.02
LogP ≤ 5	28.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-(3-methyl-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(6-methyl-2-pyridinyl)-4H-pyridin-4-ide;tetrakis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);nonakis(iridium);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-(3-methyl-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(6-methyl-2-pyridinyl)-4H-pyridin-4-ide;tetrakis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);nonakis(iridium);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 158643199) is 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-(3-methyl-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(6-methyl-2-pyridinyl)-4H-pyridin-4-ide;tetrakis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);nonakis(iridium);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-(3-methyl-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(6-methyl-2-pyridinyl)-4H-pyridin-4-ide;tetrakis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);nonakis(iridium);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-(3-methyl-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(6-methyl-2-pyridinyl)-4H-pyridin-4-ide;tetrakis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);nonakis(iridium);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is CN(C)c1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1cccc(-c2[c-]cc(F)nc2F)n1.Cc1cccnc1-c1[c-]cc(F)nc1F.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)n1.Fc1c[c-]c(-c2ccccn2)c(F)n1.Fc1c[c-]c(-c2ccccn2)c(F)n1.Fc1c[c-]c(-c2ccccn2)c(F)n1.O=C(O)c1ccccn1.OCc1ccnc(-c2[c-]cc(F)cc2F)c1.[C-]#[N+]c1c(F)c[c-]c(-c2ccccn2)c1F.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-(3-methyl-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(6-methyl-2-pyridinyl)-4H-pyridin-4-ide;tetrakis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);nonakis(iridium);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The InChIKey is WRGSWVMFKSSAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N2.C12H5F2N2.C12H8F2NO.2C11H7F2N2.C11H6F2N.4C10H5F2N2.C9H5F3N3.C6H5NO2.9Ir/c1-17(2)10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;1-15-12-9(13)6-5-8(11(12)14)10-4-2-3-7-16-10;13-9-1-2-10(11(14)6-9)12-5-8(7-16)3-4-15-12;1-7-3-2-6-14-10(7)8-4-5-9(12)15-11(8)13;1-7-3-2-4-9(14-7)8-5-6-10(12)15-11(8)13;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;4*11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;8-6(9)5-3-1-2-4-7-5;;;;;;;;;/h3,5-8H,1-2H3;2-4,6-7H;1,3-6,16H,7H2;2-3,5-6H,1H3;2-4,6H,1H3;1-4,6-7H;4*1-3,5-6H;1-5H;1-4H,(H,8,9);;;;;;;;;/q11*-1;;;;;;;;;;.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-(3-methyl-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(6-methyl-2-pyridinyl)-4H-pyridin-4-ide;tetrakis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);nonakis(iridium);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-(3-methyl-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(6-methyl-2-pyridinyl)-4H-pyridin-4-ide;tetrakis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);nonakis(iridium);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 4099.02 g/mol, XLogP of 28.24, 14 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-(3-methyl-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-(6-methyl-2-pyridinyl)-4H-pyridin-4-ide;tetrakis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);nonakis(iridium);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 158643199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).