6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-3-amine;2-(2,4-difluorobenzene-6-id-1-yl)-3-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2,4-difluoro-1-phenylbenzene-6-ide;1-fluoro-2-isocyano-4-phenylbenzene-5-ide;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;1-isocyano-3-phenylbenzene-4-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;pyridine-2-carboxylic acid

C129H87F13Ir10N16O2-14 — CID 157479281

About 6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-3-amine;2-(2,4-difluorobenzene-6-id-1-yl)-3-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2,4-difluoro-1-phenylbenzene-6-ide;1-fluoro-2-isocyano-4-phenylbenzene-5-ide;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;1-isocyano-3-phenylbenzene-4-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;pyridine-2-carboxylic acid

6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-3-amine;2-(2,4-difluorobenzene-6-id-1-yl)-3-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2,4-difluoro-1-phenylbenzene-6-ide;1-fluoro-2-isocyano-4-phenylbenzene-5-ide;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;1-isocyano-3-phenylbenzene-4-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;pyridine-2-carboxylic acid (PubChem CID 157479281) has the molecular formula C129H87F13Ir10N16O2-14 and a molecular weight of 4062.37 g/mol. Its IUPAC name is 6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-3-amine;2-(2,4-difluorobenzene-6-id-1-yl)-3-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2,4-difluoro-1-phenylbenzene-6-ide;1-fluoro-2-isocyano-4-phenylbenzene-5-ide;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;1-isocyano-3-phenylbenzene-4-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-3-amine;2-(2,4-difluorobenzene-6-id-1-yl)-3-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2,4-difluoro-1-phenylbenzene-6-ide;1-fluoro-2-isocyano-4-phenylbenzene-5-ide;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;1-isocyano-3-phenylbenzene-4-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;pyridine-2-carboxylic acid
• PubChem CID: 157479281
• Molecular Formula: C129H87F13Ir10N16O2-14
• Molecular Weight: 4062.37 g/mol
• Exact Mass: 4068.34
• IUPAC Name: 6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-3-amine;2-(2,4-difluorobenzene-6-id-1-yl)-3-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2,4-difluoro-1-phenylbenzene-6-ide;1-fluoro-2-isocyano-4-phenylbenzene-5-ide;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;1-isocyano-3-phenylbenzene-4-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;pyridine-2-carboxylic acid
• SMILES: CN(C)c1ccc(-c2[c-]cc(F)cc2F)nc1.CN1C=CN(c2[c-]cccc2)[CH-]1.Cc1cccnc1-c1[c-]cc(F)cc1F.Fc1c[c-]c(-c2[c-]cccc2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.[C-]#[N+]c1c(F)c[c-]c(-c2cc(N(C)C)ccn2)c1F.[C-]#[N+]c1cc(-c2[c-]cccc2)[c-]cc1F.[C-]#[N+]c1cc[c-]c(-c2[c-]cccc2)c1.[C-]#[N+]c1cc[c-]c(-c2cc(N(C)C)ccn2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C14H10F2N3.C14H12N3.C13H11F2N2.C13H6FN.C13H7N.C12H8F2N.C12H6F2.2C11H6F2N.C10H10N2.C6H5NO2.10Ir/c1-17-14-11(15)5-4-10(13(14)16)12-8-9(19(2)3)6-7-18-12;1-15-12-6-4-5-11(9-12)14-10-13(17(2)3)7-8-16-14;1-17(2)10-4-6-13(16-8-10)11-5-3-9(14)7-12(11)15;1-15-13-9-11(7-8-12(13)14)10-5-3-2-4-6-10;1-14-13-9-5-8-12(10-13)11-6-3-2-4-7-11;1-8-3-2-6-15-12(8)10-5-4-9(13)7-11(10)14;13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-11-7-8-12(9-11)10-5-3-2-4-6-10;8-6(9)5-3-1-2-4-7-5;;;;;;;;;;/h5-8H,2-3H3;4,6-10H,2-3H3;3-4,6-8H,1-2H3;2-5,8-9H;2-6,9-10H;2-4,6-7H,1H3;1-4,6,8H;2*1-4,6-7H;2-5,7-9H,1H3;1-4H,(H,8,9);;;;;;;;;;/q3*-1;2*-2;-1;-2;2*-1;-2
• InChIKey: BXFBFWOVUCFISK-UHFFFAOYSA-N
• XLogP: 31.26
• TPSA: 161.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4062.37
LogP ≤ 5	31.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

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)-N,N-dimethylpyridin-3-amine;2-(2,4-difluorobenzene-6-id-1-yl)-3-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2,4-difluoro-1-phenylbenzene-6-ide;1-fluoro-2-isocyano-4-phenylbenzene-5-ide;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;1-isocyano-3-phenylbenzene-4-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;pyridine-2-carboxylic acid?

The IUPAC name of 6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-3-amine;2-(2,4-difluorobenzene-6-id-1-yl)-3-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2,4-difluoro-1-phenylbenzene-6-ide;1-fluoro-2-isocyano-4-phenylbenzene-5-ide;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;1-isocyano-3-phenylbenzene-4-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;pyridine-2-carboxylic acid (CID 157479281) is 6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-3-amine;2-(2,4-difluorobenzene-6-id-1-yl)-3-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2,4-difluoro-1-phenylbenzene-6-ide;1-fluoro-2-isocyano-4-phenylbenzene-5-ide;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;1-isocyano-3-phenylbenzene-4-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;pyridine-2-carboxylic acid.

What is the SMILES notation for 6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-3-amine;2-(2,4-difluorobenzene-6-id-1-yl)-3-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2,4-difluoro-1-phenylbenzene-6-ide;1-fluoro-2-isocyano-4-phenylbenzene-5-ide;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;1-isocyano-3-phenylbenzene-4-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;pyridine-2-carboxylic acid?

The canonical SMILES for 6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-3-amine;2-(2,4-difluorobenzene-6-id-1-yl)-3-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2,4-difluoro-1-phenylbenzene-6-ide;1-fluoro-2-isocyano-4-phenylbenzene-5-ide;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;1-isocyano-3-phenylbenzene-4-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;pyridine-2-carboxylic acid is CN(C)c1ccc(-c2[c-]cc(F)cc2F)nc1.CN1C=CN(c2[c-]cccc2)[CH-]1.Cc1cccnc1-c1[c-]cc(F)cc1F.Fc1c[c-]c(-c2[c-]cccc2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.[C-]#[N+]c1c(F)c[c-]c(-c2cc(N(C)C)ccn2)c1F.[C-]#[N+]c1cc(-c2[c-]cccc2)[c-]cc1F.[C-]#[N+]c1cc[c-]c(-c2[c-]cccc2)c1.[C-]#[N+]c1cc[c-]c(-c2cc(N(C)C)ccn2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-3-amine;2-(2,4-difluorobenzene-6-id-1-yl)-3-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2,4-difluoro-1-phenylbenzene-6-ide;1-fluoro-2-isocyano-4-phenylbenzene-5-ide;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;1-isocyano-3-phenylbenzene-4-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;pyridine-2-carboxylic acid?

The InChIKey is BXFBFWOVUCFISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N3.C14H12N3.C13H11F2N2.C13H6FN.C13H7N.C12H8F2N.C12H6F2.2C11H6F2N.C10H10N2.C6H5NO2.10Ir/c1-17-14-11(15)5-4-10(13(14)16)12-8-9(19(2)3)6-7-18-12;1-15-12-6-4-5-11(9-12)14-10-13(17(2)3)7-8-16-14;1-17(2)10-4-6-13(16-8-10)11-5-3-9(14)7-12(11)15;1-15-13-9-11(7-8-12(13)14)10-5-3-2-4-6-10;1-14-13-9-5-8-12(10-13)11-6-3-2-4-7-11;1-8-3-2-6-15-12(8)10-5-4-9(13)7-11(10)14;13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-11-7-8-12(9-11)10-5-3-2-4-6-10;8-6(9)5-3-1-2-4-7-5;;;;;;;;;;/h5-8H,2-3H3;4,6-10H,2-3H3;3-4,6-8H,1-2H3;2-5,8-9H;2-6,9-10H;2-4,6-7H,1H3;1-4,6,8H;2*1-4,6-7H;2-5,7-9H,1H3;1-4H,(H,8,9);;;;;;;;;;/q3*-1;2*-2;-1;-2;2*-1;-2;;;;;;;;;;;.

What are the key properties of 6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-3-amine;2-(2,4-difluorobenzene-6-id-1-yl)-3-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2,4-difluoro-1-phenylbenzene-6-ide;1-fluoro-2-isocyano-4-phenylbenzene-5-ide;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;1-isocyano-3-phenylbenzene-4-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;pyridine-2-carboxylic acid?

6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-3-amine;2-(2,4-difluorobenzene-6-id-1-yl)-3-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2,4-difluoro-1-phenylbenzene-6-ide;1-fluoro-2-isocyano-4-phenylbenzene-5-ide;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;1-isocyano-3-phenylbenzene-4-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;pyridine-2-carboxylic acid has a molecular weight of 4062.37 g/mol, XLogP of 31.26, 14 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-3-amine;2-(2,4-difluorobenzene-6-id-1-yl)-3-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2,4-difluoro-1-phenylbenzene-6-ide;1-fluoro-2-isocyano-4-phenylbenzene-5-ide;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;1-isocyano-3-phenylbenzene-4-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;pyridine-2-carboxylic acid is sourced from PubChem (CID 157479281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).