2-(4-bromo-2-fluorobenzene-6-id-1-yl)pyridine;2-(4-chloro-2-fluorobenzene-6-id-1-yl)pyridine;3-(4-chloro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide;pentakis(iridium);tris(pyridine-2-carboxylic acid)

C71H41BrCl2F9Ir5N10O6-5 — CID 158839798

About 2-(4-bromo-2-fluorobenzene-6-id-1-yl)pyridine;2-(4-chloro-2-fluorobenzene-6-id-1-yl)pyridine;3-(4-chloro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide;pentakis(iridium);tris(pyridine-2-carboxylic acid)

2-(4-bromo-2-fluorobenzene-6-id-1-yl)pyridine;2-(4-chloro-2-fluorobenzene-6-id-1-yl)pyridine;3-(4-chloro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide;pentakis(iridium);tris(pyridine-2-carboxylic acid) (PubChem CID 158839798) has the molecular formula C71H41BrCl2F9Ir5N10O6-5 and a molecular weight of 2413.05 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorobenzene-6-id-1-yl)pyridine;2-(4-chloro-2-fluorobenzene-6-id-1-yl)pyridine;3-(4-chloro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide;pentakis(iridium);tris(pyridine-2-carboxylic acid).

Molecular Properties

• Compound Name: 2-(4-bromo-2-fluorobenzene-6-id-1-yl)pyridine;2-(4-chloro-2-fluorobenzene-6-id-1-yl)pyridine;3-(4-chloro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide;pentakis(iridium);tris(pyridine-2-carboxylic acid)
• PubChem CID: 158839798
• Molecular Formula: C71H41BrCl2F9Ir5N10O6-5
• Molecular Weight: 2413.05 g/mol
• Exact Mass: 2413.98
• IUPAC Name: 2-(4-bromo-2-fluorobenzene-6-id-1-yl)pyridine;2-(4-chloro-2-fluorobenzene-6-id-1-yl)pyridine;3-(4-chloro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide;pentakis(iridium);tris(pyridine-2-carboxylic acid)
• SMILES: Fc1c[c-]c(-c2cc(Cl)ccn2)c(F)n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1cc(Br)c[c-]c1-c1ccccn1.Fc1cc(Cl)c[c-]c1-c1ccccn1.Fc1ccnc(-c2[c-]cc(F)nc2F)c1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C11H6BrFN.C11H6ClFN.C11H6F2N.C10H4ClF2N2.C10H4F3N2.3C6H5NO2.5Ir/c3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*11-6-3-4-14-8(5-6)7-1-2-9(12)15-10(7)13;3*8-6(9)5-3-1-2-4-7-5;;;;;/h3*1-4,6-7H;2*2-5H;3*1-4H,(H,8,9);;;;;/q5*-1
• InChIKey: PHRAZMUWIDUVAH-UHFFFAOYSA-N
• XLogP: 17.18
• TPSA: 240.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2413.05
LogP ≤ 5	17.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

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 2-(4-bromo-2-fluorobenzene-6-id-1-yl)pyridine;2-(4-chloro-2-fluorobenzene-6-id-1-yl)pyridine;3-(4-chloro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide;pentakis(iridium);tris(pyridine-2-carboxylic acid)?

The IUPAC name of 2-(4-bromo-2-fluorobenzene-6-id-1-yl)pyridine;2-(4-chloro-2-fluorobenzene-6-id-1-yl)pyridine;3-(4-chloro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide;pentakis(iridium);tris(pyridine-2-carboxylic acid) (CID 158839798) is 2-(4-bromo-2-fluorobenzene-6-id-1-yl)pyridine;2-(4-chloro-2-fluorobenzene-6-id-1-yl)pyridine;3-(4-chloro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide;pentakis(iridium);tris(pyridine-2-carboxylic acid).

What is the SMILES notation for 2-(4-bromo-2-fluorobenzene-6-id-1-yl)pyridine;2-(4-chloro-2-fluorobenzene-6-id-1-yl)pyridine;3-(4-chloro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide;pentakis(iridium);tris(pyridine-2-carboxylic acid)?

The canonical SMILES for 2-(4-bromo-2-fluorobenzene-6-id-1-yl)pyridine;2-(4-chloro-2-fluorobenzene-6-id-1-yl)pyridine;3-(4-chloro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide;pentakis(iridium);tris(pyridine-2-carboxylic acid) is Fc1c[c-]c(-c2cc(Cl)ccn2)c(F)n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1cc(Br)c[c-]c1-c1ccccn1.Fc1cc(Cl)c[c-]c1-c1ccccn1.Fc1ccnc(-c2[c-]cc(F)nc2F)c1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-(4-bromo-2-fluorobenzene-6-id-1-yl)pyridine;2-(4-chloro-2-fluorobenzene-6-id-1-yl)pyridine;3-(4-chloro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide;pentakis(iridium);tris(pyridine-2-carboxylic acid)?

The InChIKey is PHRAZMUWIDUVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN.C11H6ClFN.C11H6F2N.C10H4ClF2N2.C10H4F3N2.3C6H5NO2.5Ir/c3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*11-6-3-4-14-8(5-6)7-1-2-9(12)15-10(7)13;3*8-6(9)5-3-1-2-4-7-5;;;;;/h3*1-4,6-7H;2*2-5H;3*1-4H,(H,8,9);;;;;/q5*-1;;;;;;;;.

What are the key properties of 2-(4-bromo-2-fluorobenzene-6-id-1-yl)pyridine;2-(4-chloro-2-fluorobenzene-6-id-1-yl)pyridine;3-(4-chloro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide;pentakis(iridium);tris(pyridine-2-carboxylic acid)?

2-(4-bromo-2-fluorobenzene-6-id-1-yl)pyridine;2-(4-chloro-2-fluorobenzene-6-id-1-yl)pyridine;3-(4-chloro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide;pentakis(iridium);tris(pyridine-2-carboxylic acid) has a molecular weight of 2413.05 g/mol, XLogP of 17.18, 8 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromo-2-fluorobenzene-6-id-1-yl)pyridine;2-(4-chloro-2-fluorobenzene-6-id-1-yl)pyridine;3-(4-chloro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide;pentakis(iridium);tris(pyridine-2-carboxylic acid) is sourced from PubChem (CID 158839798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).