2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-methylpyridine;tris(1,5-dimethylpyrazole-3-carboxylic acid);pentakis(iridium);1-phenylisoquinoline

C82H66F8Ir5N13O6-5 — CID 158589110

About 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-methylpyridine;tris(1,5-dimethylpyrazole-3-carboxylic acid);pentakis(iridium);1-phenylisoquinoline

2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-methylpyridine;tris(1,5-dimethylpyrazole-3-carboxylic acid);pentakis(iridium);1-phenylisoquinoline (PubChem CID 158589110) has the molecular formula C82H66F8Ir5N13O6-5 and a molecular weight of 2442.58 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-methylpyridine;tris(1,5-dimethylpyrazole-3-carboxylic acid);pentakis(iridium);1-phenylisoquinoline.

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-methylpyridine;tris(1,5-dimethylpyrazole-3-carboxylic acid);pentakis(iridium);1-phenylisoquinoline
• PubChem CID: 158589110
• Molecular Formula: C82H66F8Ir5N13O6-5
• Molecular Weight: 2442.58 g/mol
• Exact Mass: 2445.33
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-methylpyridine;tris(1,5-dimethylpyrazole-3-carboxylic acid);pentakis(iridium);1-phenylisoquinoline
• SMILES: CNCc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1cc(C(=O)O)nn1C.Cc1cc(C(=O)O)nn1C.Cc1cc(C(=O)O)nn1C.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[C-]#[N+]c1c(F)c[c-]c(-c2cc(C)ccn2)c1F.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccc2ccccc12
• InChI: InChI=1S/C15H10N.C13H7F2N2.C13H11F2N2.C12H8F2N.C11H6F2N.3C6H8N2O2.5Ir/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-8-5-6-17-11(7-8)9-3-4-10(14)13(16-2)12(9)15;1-16-8-9-4-5-17-13(6-9)11-3-2-10(14)7-12(11)15;1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;3*1-4-3-5(6(9)10)7-8(4)2;;;;;/h1-7,9-11H;4-7H,1H3;2,4-7,16H,8H2,1H3;2,4-7H,1H3;1-4,6-7H;3*3H,1-2H3,(H,9,10);;;;;/q5*-1
• InChIKey: PZYJYESBRCLSRS-UHFFFAOYSA-N
• XLogP: 17.16
• TPSA: 246.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2442.58
LogP ≤ 5	17.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'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)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-methylpyridine;tris(1,5-dimethylpyrazole-3-carboxylic acid);pentakis(iridium);1-phenylisoquinoline?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-methylpyridine;tris(1,5-dimethylpyrazole-3-carboxylic acid);pentakis(iridium);1-phenylisoquinoline (CID 158589110) is 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-methylpyridine;tris(1,5-dimethylpyrazole-3-carboxylic acid);pentakis(iridium);1-phenylisoquinoline.

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-methylpyridine;tris(1,5-dimethylpyrazole-3-carboxylic acid);pentakis(iridium);1-phenylisoquinoline?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-methylpyridine;tris(1,5-dimethylpyrazole-3-carboxylic acid);pentakis(iridium);1-phenylisoquinoline is CNCc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1cc(C(=O)O)nn1C.Cc1cc(C(=O)O)nn1C.Cc1cc(C(=O)O)nn1C.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[C-]#[N+]c1c(F)c[c-]c(-c2cc(C)ccn2)c1F.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccc2ccccc12.

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-methylpyridine;tris(1,5-dimethylpyrazole-3-carboxylic acid);pentakis(iridium);1-phenylisoquinoline?

The InChIKey is PZYJYESBRCLSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N.C13H7F2N2.C13H11F2N2.C12H8F2N.C11H6F2N.3C6H8N2O2.5Ir/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-8-5-6-17-11(7-8)9-3-4-10(14)13(16-2)12(9)15;1-16-8-9-4-5-17-13(6-9)11-3-2-10(14)7-12(11)15;1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;3*1-4-3-5(6(9)10)7-8(4)2;;;;;/h1-7,9-11H;4-7H,1H3;2,4-7,16H,8H2,1H3;2,4-7H,1H3;1-4,6-7H;3*3H,1-2H3,(H,9,10);;;;;/q5*-1;;;;;;;;.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-methylpyridine;tris(1,5-dimethylpyrazole-3-carboxylic acid);pentakis(iridium);1-phenylisoquinoline?

2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-methylpyridine;tris(1,5-dimethylpyrazole-3-carboxylic acid);pentakis(iridium);1-phenylisoquinoline has a molecular weight of 2442.58 g/mol, XLogP of 17.16, 10 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-methylpyridine;tris(1,5-dimethylpyrazole-3-carboxylic acid);pentakis(iridium);1-phenylisoquinoline is sourced from PubChem (CID 158589110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).