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

C97H65F13Ir4N24O8-4 — CID 162023039

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

2-fluoro-5-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;tetrakis(iridium);5-methyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol) (PubChem CID 162023039) has the molecular formula C97H65F13Ir4N24O8-4 and a molecular weight of 2710.59 g/mol. Its IUPAC name is 2-fluoro-5-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;tetrakis(iridium);5-methyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol).

Molecular Properties

• Compound Name: 2-fluoro-5-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;tetrakis(iridium);5-methyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)
• PubChem CID: 162023039
• Molecular Formula: C97H65F13Ir4N24O8-4
• Molecular Weight: 2710.59 g/mol
• Exact Mass: 2712.37
• IUPAC Name: 2-fluoro-5-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;tetrakis(iridium);5-methyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)
• SMILES: Cc1cc(-c2cnccn2)[c-]c(C(F)(F)F)n1.Cc1cnc(-c2[c-]c(C(F)(F)F)nc(C)c2)nc1.Cc1nc(C(F)(F)F)c[c-]c1-c1cnc(F)cn1.Cc1nc(C(F)(F)F)c[c-]c1-c1cnccn1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/4C13H9N3O2.C12H9F3N3.C11H6F4N3.2C11H7F3N3.4Ir/c4*17-11-6-2-1-5-10(11)13-16-15-12(18-13)9-4-3-7-14-8-9;1-7-5-16-11(17-6-7)9-3-8(2)18-10(4-9)12(13,14)15;1-6-7(8-4-17-10(12)5-16-8)2-3-9(18-6)11(13,14)15;1-7-4-8(9-6-15-2-3-16-9)5-10(17-7)11(12,13)14;1-7-8(9-6-15-4-5-16-9)2-3-10(17-7)11(12,13)14;;;;/h4*1-8,17H;3,5-6H,1-2H3;3-5H,1H3;2-4,6H,1H3;3-6H,1H3;;;;/q;;;;4*-1
• InChIKey: RPMBDBGSVYFCTL-UHFFFAOYSA-N
• XLogP: 21.12
• TPSA: 442.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 12
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2710.59
LogP ≤ 5	21.12
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-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;tetrakis(iridium);5-methyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)?

The IUPAC name of 2-fluoro-5-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;tetrakis(iridium);5-methyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol) (CID 162023039) is 2-fluoro-5-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;tetrakis(iridium);5-methyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol).

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

The canonical SMILES for 2-fluoro-5-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;tetrakis(iridium);5-methyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol) is Cc1cc(-c2cnccn2)[c-]c(C(F)(F)F)n1.Cc1cnc(-c2[c-]c(C(F)(F)F)nc(C)c2)nc1.Cc1nc(C(F)(F)F)c[c-]c1-c1cnc(F)cn1.Cc1nc(C(F)(F)F)c[c-]c1-c1cnccn1.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-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;tetrakis(iridium);5-methyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)?

The InChIKey is RPMBDBGSVYFCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H9N3O2.C12H9F3N3.C11H6F4N3.2C11H7F3N3.4Ir/c4*17-11-6-2-1-5-10(11)13-16-15-12(18-13)9-4-3-7-14-8-9;1-7-5-16-11(17-6-7)9-3-8(2)18-10(4-9)12(13,14)15;1-6-7(8-4-17-10(12)5-16-8)2-3-9(18-6)11(13,14)15;1-7-4-8(9-6-15-2-3-16-9)5-10(17-7)11(12,13)14;1-7-8(9-6-15-4-5-16-9)2-3-10(17-7)11(12,13)14;;;;/h4*1-8,17H;3,5-6H,1-2H3;3-5H,1H3;2-4,6H,1H3;3-6H,1H3;;;;/q;;;;4*-1;;;;.

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

2-fluoro-5-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;tetrakis(iridium);5-methyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol) has a molecular weight of 2710.59 g/mol, XLogP of 21.12, 12 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-5-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;tetrakis(iridium);5-methyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol) is sourced from PubChem (CID 162023039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).