Bis(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1,5-dimethylpyrazole-3-carboxylic acid;tris(iridium);pyridine-2-carboxylic acid

C₄₄H₃₂F₆Ir₃N₉O₄-3 — CID 158051354

About Bis(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1,5-dimethylpyrazole-3-carboxylic acid;tris(iridium);pyridine-2-carboxylic acid

Bis(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1,5-dimethylpyrazole-3-carboxylic acid;tris(iridium);pyridine-2-carboxylic acid (PubChem CID 158051354) has the molecular formula C₄₄H₃₂F₆Ir₃N₉O₄-3 and a molecular weight of 1441.44 g/mol. Its IUPAC name is bis(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1,5-dimethylpyrazole-3-carboxylic acid;tris(iridium);pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: Bis(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1,5-dimethylpyrazole-3-carboxylic acid;tris(iridium);pyridine-2-carboxylic acid
• PubChem CID: 158051354
• Molecular Formula: C₄₄H₃₂F₆Ir₃N₉O₄-3
• Molecular Weight: 1441.44 g/mol
• Exact Mass: 1443.14
• IUPAC Name: bis(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1,5-dimethylpyrazole-3-carboxylic acid;tris(iridium);pyridine-2-carboxylic acid
• SMILES: Cc1cc(C(=O)O)nn1C.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.[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C11H7F2N2.C10H5F2N2.C6H8N2O2.C6H5NO2.3Ir/c2*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;1-4-3-5(6(9)10)7-8(4)2;8-6(9)5-3-1-2-4-7-5;;;/h2*3-6H,1H3;1-3,5-6H;3H,1-2H3,(H,9,10);1-4H,(H,8,9);;;/q3*-1
• InChIKey: GRDFMORVCITBSV-UHFFFAOYSA-N
• XLogP: 8.48
• TPSA: 182.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1441.44
LogP ≤ 5	8.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

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-methyl-2-pyridinyl)-4H-pyridin-4-ide);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1,5-dimethylpyrazole-3-carboxylic acid;tris(iridium);pyridine-2-carboxylic acid?

The IUPAC name of Bis(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1,5-dimethylpyrazole-3-carboxylic acid;tris(iridium);pyridine-2-carboxylic acid (CID 158051354) is bis(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1,5-dimethylpyrazole-3-carboxylic acid;tris(iridium);pyridine-2-carboxylic acid.

What is the SMILES notation for Bis(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1,5-dimethylpyrazole-3-carboxylic acid;tris(iridium);pyridine-2-carboxylic acid?

The canonical SMILES for Bis(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1,5-dimethylpyrazole-3-carboxylic acid;tris(iridium);pyridine-2-carboxylic acid is Cc1cc(C(=O)O)nn1C.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.[Ir].[Ir].[Ir].

What is the InChIKey of Bis(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1,5-dimethylpyrazole-3-carboxylic acid;tris(iridium);pyridine-2-carboxylic acid?

The InChIKey is GRDFMORVCITBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H7F2N2.C10H5F2N2.C6H8N2O2.C6H5NO2.3Ir/c2*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;1-4-3-5(6(9)10)7-8(4)2;8-6(9)5-3-1-2-4-7-5;;;/h2*3-6H,1H3;1-3,5-6H;3H,1-2H3,(H,9,10);1-4H,(H,8,9);;;/q3*-1;;;;;.

What are the key properties of Bis(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1,5-dimethylpyrazole-3-carboxylic acid;tris(iridium);pyridine-2-carboxylic acid?

Bis(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1,5-dimethylpyrazole-3-carboxylic acid;tris(iridium);pyridine-2-carboxylic acid has a molecular weight of 1441.44 g/mol, XLogP of 8.48, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for Bis(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1,5-dimethylpyrazole-3-carboxylic acid;tris(iridium);pyridine-2-carboxylic acid is sourced from PubChem (CID 158051354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158051354 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.