6-(2,4-difluorobenzene-6-id-1-yl)pyridine-2-carboxylic acid;[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methanol;pentakis(iridium);pentakis(1-methyl-2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]imidazole);6-phenylpyridine-2-carboxylic acid;(6-phenyl-2-pyridinyl)methanol;3-pyridin-2-ylbenzene-2-ide-1-carboxylic acid

C130H105F4Ir5N25O8-10 — CID 157339305

About 6-(2,4-difluorobenzene-6-id-1-yl)pyridine-2-carboxylic acid;[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methanol;pentakis(iridium);pentakis(1-methyl-2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]imidazole);6-phenylpyridine-2-carboxylic acid;(6-phenyl-2-pyridinyl)methanol;3-pyridin-2-ylbenzene-2-ide-1-carboxylic acid

6-(2,4-difluorobenzene-6-id-1-yl)pyridine-2-carboxylic acid;[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methanol;pentakis(iridium);pentakis(1-methyl-2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]imidazole);6-phenylpyridine-2-carboxylic acid;(6-phenyl-2-pyridinyl)methanol;3-pyridin-2-ylbenzene-2-ide-1-carboxylic acid (PubChem CID 157339305) has the molecular formula C130H105F4Ir5N25O8-10 and a molecular weight of 3182.51 g/mol. Its IUPAC name is 6-(2,4-difluorobenzene-6-id-1-yl)pyridine-2-carboxylic acid;[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methanol;pentakis(iridium);pentakis(1-methyl-2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]imidazole);6-phenylpyridine-2-carboxylic acid;(6-phenyl-2-pyridinyl)methanol;3-pyridin-2-ylbenzene-2-ide-1-carboxylic acid.

Molecular Properties

• Compound Name: 6-(2,4-difluorobenzene-6-id-1-yl)pyridine-2-carboxylic acid;[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methanol;pentakis(iridium);pentakis(1-methyl-2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]imidazole);6-phenylpyridine-2-carboxylic acid;(6-phenyl-2-pyridinyl)methanol;3-pyridin-2-ylbenzene-2-ide-1-carboxylic acid
• PubChem CID: 157339305
• Molecular Formula: C130H105F4Ir5N25O8-10
• Molecular Weight: 3182.51 g/mol
• Exact Mass: 3184.67
• IUPAC Name: 6-(2,4-difluorobenzene-6-id-1-yl)pyridine-2-carboxylic acid;[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methanol;pentakis(iridium);pentakis(1-methyl-2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]imidazole);6-phenylpyridine-2-carboxylic acid;(6-phenyl-2-pyridinyl)methanol;3-pyridin-2-ylbenzene-2-ide-1-carboxylic acid
• SMILES: Cn1ccnc1-c1[c-]c(-c2nccn2C)ccc1.Cn1ccnc1-c1[c-]c(-c2nccn2C)ccc1.Cn1ccnc1-c1[c-]c(-c2nccn2C)ccc1.Cn1ccnc1-c1[c-]c(-c2nccn2C)ccc1.Cn1ccnc1-c1[c-]c(-c2nccn2C)ccc1.O=C(O)c1[c-]c(-c2ccccn2)ccc1.O=C(O)c1cccc(-c2[c-]cc(F)cc2F)n1.O=C(O)c1cccc(-c2[c-]cccc2)n1.OCc1cccc(-c2[c-]cc(F)cc2F)n1.OCc1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/5C14H13N4.C12H6F2NO2.C12H8F2NO.2C12H8NO2.C12H10NO.5Ir/c5*1-17-8-6-15-13(17)11-4-3-5-12(10-11)14-16-7-9-18(14)2;13-7-4-5-8(9(14)6-7)10-2-1-3-11(15-10)12(16)17;13-8-4-5-10(11(14)6-8)12-3-1-2-9(7-16)15-12;14-12(15)10-5-3-4-9(8-10)11-6-1-2-7-13-11;14-12(15)11-8-4-7-10(13-11)9-5-2-1-3-6-9;14-9-11-7-4-8-12(13-11)10-5-2-1-3-6-10;;;;;/h5*3-9H,1-2H3;1-4,6H,(H,16,17);1-4,6,16H,7H2;1-7H,(H,14,15);1-5,7-8H,(H,14,15);1-5,7-8,14H,9H2;;;;;/q10*-1
• InChIKey: NVRBWMLQGZUAKA-UHFFFAOYSA-N
• XLogP: 22.81
• TPSA: 395.01 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3182.51
LogP ≤ 5	22.81
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorobenzene-6-id-1-yl)pyridine-2-carboxylic acid;[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methanol;pentakis(iridium);pentakis(1-methyl-2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]imidazole);6-phenylpyridine-2-carboxylic acid;(6-phenyl-2-pyridinyl)methanol;3-pyridin-2-ylbenzene-2-ide-1-carboxylic acid?

The IUPAC name of 6-(2,4-difluorobenzene-6-id-1-yl)pyridine-2-carboxylic acid;[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methanol;pentakis(iridium);pentakis(1-methyl-2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]imidazole);6-phenylpyridine-2-carboxylic acid;(6-phenyl-2-pyridinyl)methanol;3-pyridin-2-ylbenzene-2-ide-1-carboxylic acid (CID 157339305) is 6-(2,4-difluorobenzene-6-id-1-yl)pyridine-2-carboxylic acid;[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methanol;pentakis(iridium);pentakis(1-methyl-2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]imidazole);6-phenylpyridine-2-carboxylic acid;(6-phenyl-2-pyridinyl)methanol;3-pyridin-2-ylbenzene-2-ide-1-carboxylic acid.

What is the SMILES notation for 6-(2,4-difluorobenzene-6-id-1-yl)pyridine-2-carboxylic acid;[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methanol;pentakis(iridium);pentakis(1-methyl-2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]imidazole);6-phenylpyridine-2-carboxylic acid;(6-phenyl-2-pyridinyl)methanol;3-pyridin-2-ylbenzene-2-ide-1-carboxylic acid?

The canonical SMILES for 6-(2,4-difluorobenzene-6-id-1-yl)pyridine-2-carboxylic acid;[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methanol;pentakis(iridium);pentakis(1-methyl-2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]imidazole);6-phenylpyridine-2-carboxylic acid;(6-phenyl-2-pyridinyl)methanol;3-pyridin-2-ylbenzene-2-ide-1-carboxylic acid is Cn1ccnc1-c1[c-]c(-c2nccn2C)ccc1.Cn1ccnc1-c1[c-]c(-c2nccn2C)ccc1.Cn1ccnc1-c1[c-]c(-c2nccn2C)ccc1.Cn1ccnc1-c1[c-]c(-c2nccn2C)ccc1.Cn1ccnc1-c1[c-]c(-c2nccn2C)ccc1.O=C(O)c1[c-]c(-c2ccccn2)ccc1.O=C(O)c1cccc(-c2[c-]cc(F)cc2F)n1.O=C(O)c1cccc(-c2[c-]cccc2)n1.OCc1cccc(-c2[c-]cc(F)cc2F)n1.OCc1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 6-(2,4-difluorobenzene-6-id-1-yl)pyridine-2-carboxylic acid;[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methanol;pentakis(iridium);pentakis(1-methyl-2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]imidazole);6-phenylpyridine-2-carboxylic acid;(6-phenyl-2-pyridinyl)methanol;3-pyridin-2-ylbenzene-2-ide-1-carboxylic acid?

The InChIKey is NVRBWMLQGZUAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/5C14H13N4.C12H6F2NO2.C12H8F2NO.2C12H8NO2.C12H10NO.5Ir/c5*1-17-8-6-15-13(17)11-4-3-5-12(10-11)14-16-7-9-18(14)2;13-7-4-5-8(9(14)6-7)10-2-1-3-11(15-10)12(16)17;13-8-4-5-10(11(14)6-8)12-3-1-2-9(7-16)15-12;14-12(15)10-5-3-4-9(8-10)11-6-1-2-7-13-11;14-12(15)11-8-4-7-10(13-11)9-5-2-1-3-6-9;14-9-11-7-4-8-12(13-11)10-5-2-1-3-6-10;;;;;/h5*3-9H,1-2H3;1-4,6H,(H,16,17);1-4,6,16H,7H2;1-7H,(H,14,15);1-5,7-8H,(H,14,15);1-5,7-8,14H,9H2;;;;;/q10*-1;;;;;.

What are the key properties of 6-(2,4-difluorobenzene-6-id-1-yl)pyridine-2-carboxylic acid;[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methanol;pentakis(iridium);pentakis(1-methyl-2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]imidazole);6-phenylpyridine-2-carboxylic acid;(6-phenyl-2-pyridinyl)methanol;3-pyridin-2-ylbenzene-2-ide-1-carboxylic acid?

6-(2,4-difluorobenzene-6-id-1-yl)pyridine-2-carboxylic acid;[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methanol;pentakis(iridium);pentakis(1-methyl-2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]imidazole);6-phenylpyridine-2-carboxylic acid;(6-phenyl-2-pyridinyl)methanol;3-pyridin-2-ylbenzene-2-ide-1-carboxylic acid has a molecular weight of 3182.51 g/mol, XLogP of 22.81, 20 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,4-difluorobenzene-6-id-1-yl)pyridine-2-carboxylic acid;[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methanol;pentakis(iridium);pentakis(1-methyl-2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]imidazole);6-phenylpyridine-2-carboxylic acid;(6-phenyl-2-pyridinyl)methanol;3-pyridin-2-ylbenzene-2-ide-1-carboxylic acid is sourced from PubChem (CID 157339305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).