2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;bis(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tris(pyridine-2-carboxylic acid)

C73H51F10Ir5N14O7-5 — CID 159684263

About 2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;bis(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tris(pyridine-2-carboxylic acid)

2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;bis(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tris(pyridine-2-carboxylic acid) (PubChem CID 159684263) has the molecular formula C73H51F10Ir5N14O7-5 and a molecular weight of 2387.37 g/mol. Its IUPAC name is 2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;bis(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tris(pyridine-2-carboxylic acid).

Molecular Properties

• Compound Name: 2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;bis(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tris(pyridine-2-carboxylic acid)
• PubChem CID: 159684263
• Molecular Formula: C73H51F10Ir5N14O7-5
• Molecular Weight: 2387.37 g/mol
• Exact Mass: 2390.21
• IUPAC Name: 2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;bis(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tris(pyridine-2-carboxylic acid)
• SMILES: CN(C)c1ccnc(-c2[c-]cc(F)nc2F)c1.COc1ccnc(-c2[c-]cc(F)nc2F)c1.Cc1ccnc(-c2[c-]cc(F)nc2F)c1.Cc1ccnc(-c2[c-]cc(F)nc2F)c1.Fc1c[c-]c(-c2ccccn2)c(F)n1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C12H10F2N3.C11H7F2N2O.2C11H7F2N2.C10H5F2N2.3C6H5NO2.5Ir/c1-17(2)8-5-6-15-10(7-8)9-3-4-11(13)16-12(9)14;1-16-7-4-5-14-9(6-7)8-2-3-10(12)15-11(8)13;2*1-7-4-5-14-9(6-7)8-2-3-10(12)15-11(8)13;11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8;3*8-6(9)5-3-1-2-4-7-5;;;;;/h4-7H,1-2H3;3-6H,1H3;2*3-6H,1H3;1-3,5-6H;3*1-4H,(H,8,9);;;;;/q5*-1
• InChIKey: TXMYHEUISIHIBX-UHFFFAOYSA-N
• XLogP: 14.13
• TPSA: 291.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2387.37
LogP ≤ 5	14.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

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 2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;bis(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tris(pyridine-2-carboxylic acid)?

The IUPAC name of 2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;bis(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tris(pyridine-2-carboxylic acid) (CID 159684263) is 2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;bis(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tris(pyridine-2-carboxylic acid).

What is the SMILES notation for 2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;bis(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tris(pyridine-2-carboxylic acid)?

The canonical SMILES for 2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;bis(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tris(pyridine-2-carboxylic acid) is CN(C)c1ccnc(-c2[c-]cc(F)nc2F)c1.COc1ccnc(-c2[c-]cc(F)nc2F)c1.Cc1ccnc(-c2[c-]cc(F)nc2F)c1.Cc1ccnc(-c2[c-]cc(F)nc2F)c1.Fc1c[c-]c(-c2ccccn2)c(F)n1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;bis(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tris(pyridine-2-carboxylic acid)?

The InChIKey is TXMYHEUISIHIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N3.C11H7F2N2O.2C11H7F2N2.C10H5F2N2.3C6H5NO2.5Ir/c1-17(2)8-5-6-15-10(7-8)9-3-4-11(13)16-12(9)14;1-16-7-4-5-14-9(6-7)8-2-3-10(12)15-11(8)13;2*1-7-4-5-14-9(6-7)8-2-3-10(12)15-11(8)13;11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8;3*8-6(9)5-3-1-2-4-7-5;;;;;/h4-7H,1-2H3;3-6H,1H3;2*3-6H,1H3;1-3,5-6H;3*1-4H,(H,8,9);;;;;/q5*-1;;;;;;;;.

What are the key properties of 2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;bis(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tris(pyridine-2-carboxylic acid)?

2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;bis(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tris(pyridine-2-carboxylic acid) has a molecular weight of 2387.37 g/mol, XLogP of 14.13, 10 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide;bis(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tris(pyridine-2-carboxylic acid) is sourced from PubChem (CID 159684263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).