2-fluoro-5-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;2-fluoro-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-6-(trifluoromethyl)pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)

C97H60F18Ir4N24O8-4 — CID 158616875

About 2-fluoro-5-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;2-fluoro-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-6-(trifluoromethyl)pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)

2-fluoro-5-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;2-fluoro-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-6-(trifluoromethyl)pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol) (PubChem CID 158616875) has the molecular formula C97H60F18Ir4N24O8-4 and a molecular weight of 2800.54 g/mol. Its IUPAC name is 2-fluoro-5-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;2-fluoro-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-6-(trifluoromethyl)pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol).

Molecular Properties

• Compound Name: 2-fluoro-5-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;2-fluoro-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-6-(trifluoromethyl)pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)
• PubChem CID: 158616875
• Molecular Formula: C97H60F18Ir4N24O8-4
• Molecular Weight: 2800.54 g/mol
• Exact Mass: 2802.33
• IUPAC Name: 2-fluoro-5-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;2-fluoro-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-6-(trifluoromethyl)pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)
• SMILES: Cc1cc(-c2cnc(F)cn2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2cncc(F)n2)[c-]c(C(F)(F)F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1cncc(C(F)(F)F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1cncc(F)n1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/4C13H9N3O2.C12H6F6N3.3C11H6F4N3.4Ir/c4*17-11-6-2-1-5-10(11)13-16-15-12(18-13)9-4-3-7-14-8-9;1-6-7(2-3-9(20-6)11(13,14)15)8-4-19-5-10(21-8)12(16,17)18;1-6-2-7(3-9(18-6)11(13,14)15)8-4-17-10(12)5-16-8;1-6-2-7(3-9(17-6)11(13,14)15)8-4-16-5-10(12)18-8;1-6-7(8-4-16-5-10(12)18-8)2-3-9(17-6)11(13,14)15;;;;/h4*1-8,17H;3-5H,1H3;2*2,4-5H,1H3;3-5H,1H3;;;;/q;;;;4*-1
• InChIKey: XGEPUVQKMCRFHB-UHFFFAOYSA-N
• XLogP: 22.11
• TPSA: 442.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 12
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2800.54
LogP ≤ 5	22.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;2-fluoro-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-6-(trifluoromethyl)pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)?

The IUPAC name of 2-fluoro-5-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;2-fluoro-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-6-(trifluoromethyl)pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol) (CID 158616875) is 2-fluoro-5-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;2-fluoro-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-6-(trifluoromethyl)pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol).

What is the SMILES notation for 2-fluoro-5-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;2-fluoro-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-6-(trifluoromethyl)pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)?

The canonical SMILES for 2-fluoro-5-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;2-fluoro-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-6-(trifluoromethyl)pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol) is Cc1cc(-c2cnc(F)cn2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2cncc(F)n2)[c-]c(C(F)(F)F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1cncc(C(F)(F)F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1cncc(F)n1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-fluoro-5-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;2-fluoro-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-6-(trifluoromethyl)pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)?

The InChIKey is XGEPUVQKMCRFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H9N3O2.C12H6F6N3.3C11H6F4N3.4Ir/c4*17-11-6-2-1-5-10(11)13-16-15-12(18-13)9-4-3-7-14-8-9;1-6-7(2-3-9(20-6)11(13,14)15)8-4-19-5-10(21-8)12(16,17)18;1-6-2-7(3-9(18-6)11(13,14)15)8-4-17-10(12)5-16-8;1-6-2-7(3-9(17-6)11(13,14)15)8-4-16-5-10(12)18-8;1-6-7(8-4-16-5-10(12)18-8)2-3-9(17-6)11(13,14)15;;;;/h4*1-8,17H;3-5H,1H3;2*2,4-5H,1H3;3-5H,1H3;;;;/q;;;;4*-1;;;;.

What are the key properties of 2-fluoro-5-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;2-fluoro-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-6-(trifluoromethyl)pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)?

2-fluoro-5-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;2-fluoro-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-6-(trifluoromethyl)pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol) has a molecular weight of 2800.54 g/mol, XLogP of 22.11, 12 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-5-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;2-fluoro-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-6-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-6-(trifluoromethyl)pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol) is sourced from PubChem (CID 158616875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).