6-[2-[6-(4-bromo-2-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-dichloro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2-fluoro-4-iodo-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum

C104H71BrCl2F6IN14O10Pt5-5 — CID 157112200

About 6-[2-[6-(4-bromo-2-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-dichloro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2-fluoro-4-iodo-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum

6-[2-[6-(4-bromo-2-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-dichloro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2-fluoro-4-iodo-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum (PubChem CID 157112200) has the molecular formula C104H71BrCl2F6IN14O10Pt5-5 and a molecular weight of 3043.89 g/mol. Its IUPAC name is 6-[2-[6-(4-bromo-2-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-dichloro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2-fluoro-4-iodo-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum.

Molecular Properties

• Compound Name: 6-[2-[6-(4-bromo-2-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-dichloro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2-fluoro-4-iodo-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum
• PubChem CID: 157112200
• Molecular Formula: C104H71BrCl2F6IN14O10Pt5-5
• Molecular Weight: 3043.89 g/mol
• Exact Mass: 3040.13
• IUPAC Name: 6-[2-[6-(4-bromo-2-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-dichloro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2-fluoro-4-iodo-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum
• SMILES: CC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2[c-]cc(F)cc2F)n1.[C-]#[N+]c1c(Br)c[c-]c(-c2cccc(C(C)(C)c3cccc(C(=O)O)n3)n2)c1F.[C-]#[N+]c1c(Cl)c[c-]c(-c2cccc(C(C)(C)c3cccc(C(=O)O)n3)n2)c1Cl.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C(C)(C)c3cccc(C(=O)O)n3)n2)c1F.[C-]#[N+]c1c(I)c[c-]c(-c2cccc(C(C)(C)c3cccc(C(=O)O)n3)n2)c1F.[Pt].[Pt].[Pt].[Pt].[Pt]
• InChI: InChI=1S/C21H14BrFN3O2.C21H14Cl2N3O2.C21H14F2N3O2.C21H14FIN3O2.C20H15F2N2O2.5Pt/c3*1-21(2,17-9-5-7-15(26-17)20(27)28)16-8-4-6-14(25-16)12-10-11-13(22)19(24-3)18(12)23;1-21(2,17-9-5-7-15(26-17)20(27)28)16-8-4-6-14(25-16)12-10-11-13(23)19(24-3)18(12)22;1-20(2,18-8-4-6-16(24-18)19(25)26)17-7-3-5-15(23-17)13-10-9-12(21)11-14(13)22;;;;;/h4*4-9,11H,1-2H3,(H,27,28);3-9,11H,1-2H3,(H,25,26);;;;;/q5*-1
• InChIKey: JSBXAULXMAGLJW-UHFFFAOYSA-N
• XLogP: 25.54
• TPSA: 332.84 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3043.89
LogP ≤ 5	25.54
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-(4-bromo-2-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-dichloro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2-fluoro-4-iodo-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?

The IUPAC name of 6-[2-[6-(4-bromo-2-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-dichloro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2-fluoro-4-iodo-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum (CID 157112200) is 6-[2-[6-(4-bromo-2-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-dichloro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2-fluoro-4-iodo-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum.

What is the SMILES notation for 6-[2-[6-(4-bromo-2-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-dichloro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2-fluoro-4-iodo-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?

The canonical SMILES for 6-[2-[6-(4-bromo-2-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-dichloro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2-fluoro-4-iodo-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum is CC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2[c-]cc(F)cc2F)n1.[C-]#[N+]c1c(Br)c[c-]c(-c2cccc(C(C)(C)c3cccc(C(=O)O)n3)n2)c1F.[C-]#[N+]c1c(Cl)c[c-]c(-c2cccc(C(C)(C)c3cccc(C(=O)O)n3)n2)c1Cl.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C(C)(C)c3cccc(C(=O)O)n3)n2)c1F.[C-]#[N+]c1c(I)c[c-]c(-c2cccc(C(C)(C)c3cccc(C(=O)O)n3)n2)c1F.[Pt].[Pt].[Pt].[Pt].[Pt].

What is the InChIKey of 6-[2-[6-(4-bromo-2-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-dichloro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2-fluoro-4-iodo-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?

The InChIKey is JSBXAULXMAGLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrFN3O2.C21H14Cl2N3O2.C21H14F2N3O2.C21H14FIN3O2.C20H15F2N2O2.5Pt/c3*1-21(2,17-9-5-7-15(26-17)20(27)28)16-8-4-6-14(25-16)12-10-11-13(22)19(24-3)18(12)23;1-21(2,17-9-5-7-15(26-17)20(27)28)16-8-4-6-14(25-16)12-10-11-13(23)19(24-3)18(12)22;1-20(2,18-8-4-6-16(24-18)19(25)26)17-7-3-5-15(23-17)13-10-9-12(21)11-14(13)22;;;;;/h4*4-9,11H,1-2H3,(H,27,28);3-9,11H,1-2H3,(H,25,26);;;;;/q5*-1;;;;;.

What are the key properties of 6-[2-[6-(4-bromo-2-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-dichloro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2-fluoro-4-iodo-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?

6-[2-[6-(4-bromo-2-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-dichloro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2-fluoro-4-iodo-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum has a molecular weight of 3043.89 g/mol, XLogP of 25.54, 20 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[6-(4-bromo-2-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-dichloro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2-fluoro-4-iodo-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum is sourced from PubChem (CID 157112200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).