bis(2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide);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);bis(pyridine-2-carboxylic acid)

C67H46F10Ir5N13O6-5 — CID 159643026

About bis(2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide);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);bis(pyridine-2-carboxylic acid)

bis(2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide);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);bis(pyridine-2-carboxylic acid) (PubChem CID 159643026) has the molecular formula C67H46F10Ir5N13O6-5 and a molecular weight of 2280.25 g/mol. Its IUPAC name is bis(2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide);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);bis(pyridine-2-carboxylic acid).

Molecular Properties

• Compound Name: bis(2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide);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);bis(pyridine-2-carboxylic acid)
• PubChem CID: 159643026
• Molecular Formula: C67H46F10Ir5N13O6-5
• Molecular Weight: 2280.25 g/mol
• Exact Mass: 2283.17
• IUPAC Name: bis(2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide);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);bis(pyridine-2-carboxylic acid)
• SMILES: CN(C)c1ccnc(-c2[c-]cc(F)nc2F)c1.COc1ccnc(-c2[c-]cc(F)nc2F)c1.COc1ccnc(-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.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C12H10F2N3.2C11H7F2N2O.C11H7F2N2.C10H5F2N2.2C6H5NO2.5Ir/c1-17(2)8-5-6-15-10(7-8)9-3-4-11(13)16-12(9)14;2*1-16-7-4-5-14-9(6-7)8-2-3-10(12)15-11(8)13;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;2*8-6(9)5-3-1-2-4-7-5;;;;;/h4-7H,1-2H3;2*3-6H,1H3;3-6H,1H3;1-3,5-6H;2*1-4H,(H,8,9);;;;;/q5*-1
• InChIKey: XAWHXFXTNLKEKV-UHFFFAOYSA-N
• XLogP: 13.05
• TPSA: 250.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2280.25
LogP ≤ 5	13.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

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 bis(2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide);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);bis(pyridine-2-carboxylic acid)?

The IUPAC name of bis(2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide);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);bis(pyridine-2-carboxylic acid) (CID 159643026) is bis(2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide);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);bis(pyridine-2-carboxylic acid).

What is the SMILES notation for bis(2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide);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);bis(pyridine-2-carboxylic acid)?

The canonical SMILES for bis(2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide);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);bis(pyridine-2-carboxylic acid) is CN(C)c1ccnc(-c2[c-]cc(F)nc2F)c1.COc1ccnc(-c2[c-]cc(F)nc2F)c1.COc1ccnc(-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.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of bis(2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide);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);bis(pyridine-2-carboxylic acid)?

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

What are the key properties of bis(2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide);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);bis(pyridine-2-carboxylic acid)?

bis(2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide);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);bis(pyridine-2-carboxylic acid) has a molecular weight of 2280.25 g/mol, XLogP of 13.05, 10 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,6-difluoro-3-(4-methoxy-2-pyridinyl)-4H-pyridin-4-ide);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);bis(pyridine-2-carboxylic acid) is sourced from PubChem (CID 159643026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).