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

C102H64F20Ir4N20O8-4 — CID 161066742

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

4-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-4-(trifluoromethyl)pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-4-(trifluoromethyl)pyrimidine;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol) (PubChem CID 161066742) has the molecular formula C102H64F20Ir4N20O8-4 and a molecular weight of 2846.59 g/mol. Its IUPAC name is 4-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-4-(trifluoromethyl)pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-4-(trifluoromethyl)pyrimidine;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol).

Molecular Properties

• Compound Name: 4-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-4-(trifluoromethyl)pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-4-(trifluoromethyl)pyrimidine;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol)
• PubChem CID: 161066742
• Molecular Formula: C102H64F20Ir4N20O8-4
• Molecular Weight: 2846.59 g/mol
• Exact Mass: 2848.34
• IUPAC Name: 4-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-4-(trifluoromethyl)pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-4-(trifluoromethyl)pyrimidine;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol)
• SMILES: Cc1cc(-c2nccc(C(F)(F)F)n2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2nccc(F)n2)[c-]c(C(F)(F)F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1nccc(C(F)(F)F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1nccc(F)n1.Oc1ccccc1-c1nnc(-c2ccccc2)o1.Oc1ccccc1-c1nnc(-c2ccccc2)o1.Oc1ccccc1-c1nnc(-c2ccccc2)o1.Oc1ccccc1-c1nnc(-c2ccccc2)o1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/4C14H10N2O2.2C12H6F6N3.2C11H6F4N3.4Ir/c4*17-12-9-5-4-8-11(12)14-16-15-13(18-14)10-6-2-1-3-7-10;1-6-4-7(5-9(20-6)12(16,17)18)10-19-3-2-8(21-10)11(13,14)15;1-6-7(2-3-8(20-6)11(13,14)15)10-19-5-4-9(21-10)12(16,17)18;1-6-4-7(5-8(17-6)11(13,14)15)10-16-3-2-9(12)18-10;1-6-7(10-16-5-4-9(12)18-10)2-3-8(17-6)11(13,14)15;;;;/h4*1-9,17H;2-4H,1H3;3-5H,1H3;2-4H,1H3;3-5H,1H3;;;;/q;;;;4*-1
• InChIKey: ZKACYKPGGKZREJ-UHFFFAOYSA-N
• XLogP: 25.41
• TPSA: 391.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 12
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2846.59
LogP ≤ 5	25.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-4-(trifluoromethyl)pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-4-(trifluoromethyl)pyrimidine;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol) (CID 161066742) is 4-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-4-(trifluoromethyl)pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-4-(trifluoromethyl)pyrimidine;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol).

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

The canonical SMILES for 4-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-4-(trifluoromethyl)pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-4-(trifluoromethyl)pyrimidine;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol) is Cc1cc(-c2nccc(C(F)(F)F)n2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2nccc(F)n2)[c-]c(C(F)(F)F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1nccc(C(F)(F)F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1nccc(F)n1.Oc1ccccc1-c1nnc(-c2ccccc2)o1.Oc1ccccc1-c1nnc(-c2ccccc2)o1.Oc1ccccc1-c1nnc(-c2ccccc2)o1.Oc1ccccc1-c1nnc(-c2ccccc2)o1.[Ir].[Ir].[Ir].[Ir].

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

The InChIKey is ZKACYKPGGKZREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C14H10N2O2.2C12H6F6N3.2C11H6F4N3.4Ir/c4*17-12-9-5-4-8-11(12)14-16-15-13(18-14)10-6-2-1-3-7-10;1-6-4-7(5-9(20-6)12(16,17)18)10-19-3-2-8(21-10)11(13,14)15;1-6-7(2-3-8(20-6)11(13,14)15)10-19-5-4-9(21-10)12(16,17)18;1-6-4-7(5-8(17-6)11(13,14)15)10-16-3-2-9(12)18-10;1-6-7(10-16-5-4-9(12)18-10)2-3-8(17-6)11(13,14)15;;;;/h4*1-9,17H;2-4H,1H3;3-5H,1H3;2-4H,1H3;3-5H,1H3;;;;/q;;;;4*-1;;;;.

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

4-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-4-(trifluoromethyl)pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-4-(trifluoromethyl)pyrimidine;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol) has a molecular weight of 2846.59 g/mol, XLogP of 25.41, 12 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-4-(trifluoromethyl)pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-4-(trifluoromethyl)pyrimidine;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol) is sourced from PubChem (CID 161066742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).