Tetrakis(2-chloro-4,6-dimethylpyridine);4-chloro-2,6-dimethylpyridine;bis(2-chloro-4,6-dimethylpyrimidine);tris(4-chloro-2,6-dimethylpyrimidine);bis(2-chloro-4,6-dimethyl-1,3,5-triazine);bis(2,4-dimethyl-6-(trifluoromethyl)pyridine);2,4-dimethyl-6-(trifluoromethyl)pyrimidine;4,6-dimethyl-2-(trifluoromethyl)pyrimidine;2,4-dimethyl-6-(trifluoromethyl)-1,3,5-triazine

C₁₁₁H₁₂₃Cl₁₂F₁₅N₃₀ — CID 158326483

About Tetrakis(2-chloro-4,6-dimethylpyridine);4-chloro-2,6-dimethylpyridine;bis(2-chloro-4,6-dimethylpyrimidine);tris(4-chloro-2,6-dimethylpyrimidine);bis(2-chloro-4,6-dimethyl-1,3,5-triazine);bis(2,4-dimethyl-6-(trifluoromethyl)pyridine);2,4-dimethyl-6-(trifluoromethyl)pyrimidine;4,6-dimethyl-2-(trifluoromethyl)pyrimidine;2,4-dimethyl-6-(trifluoromethyl)-1,3,5-triazine

Tetrakis(2-chloro-4,6-dimethylpyridine);4-chloro-2,6-dimethylpyridine;bis(2-chloro-4,6-dimethylpyrimidine);tris(4-chloro-2,6-dimethylpyrimidine);bis(2-chloro-4,6-dimethyl-1,3,5-triazine);bis(2,4-dimethyl-6-(trifluoromethyl)pyridine);2,4-dimethyl-6-(trifluoromethyl)pyrimidine;4,6-dimethyl-2-(trifluoromethyl)pyrimidine;2,4-dimethyl-6-(trifluoromethyl)-1,3,5-triazine (PubChem CID 158326483) has the molecular formula C₁₁₁H₁₂₃Cl₁₂F₁₅N₃₀ and a molecular weight of 2587.82 g/mol. Its IUPAC name is tetrakis(2-chloro-4,6-dimethylpyridine);4-chloro-2,6-dimethylpyridine;bis(2-chloro-4,6-dimethylpyrimidine);tris(4-chloro-2,6-dimethylpyrimidine);bis(2-chloro-4,6-dimethyl-1,3,5-triazine);bis(2,4-dimethyl-6-(trifluoromethyl)pyridine);2,4-dimethyl-6-(trifluoromethyl)pyrimidine;4,6-dimethyl-2-(trifluoromethyl)pyrimidine;2,4-dimethyl-6-(trifluoromethyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: Tetrakis(2-chloro-4,6-dimethylpyridine);4-chloro-2,6-dimethylpyridine;bis(2-chloro-4,6-dimethylpyrimidine);tris(4-chloro-2,6-dimethylpyrimidine);bis(2-chloro-4,6-dimethyl-1,3,5-triazine);bis(2,4-dimethyl-6-(trifluoromethyl)pyridine);2,4-dimethyl-6-(trifluoromethyl)pyrimidine;4,6-dimethyl-2-(trifluoromethyl)pyrimidine;2,4-dimethyl-6-(trifluoromethyl)-1,3,5-triazine
• PubChem CID: 158326483
• Molecular Formula: C₁₁₁H₁₂₃Cl₁₂F₁₅N₃₀
• Molecular Weight: 2587.82 g/mol
• Exact Mass: 2580.66
• IUPAC Name: tetrakis(2-chloro-4,6-dimethylpyridine);4-chloro-2,6-dimethylpyridine;bis(2-chloro-4,6-dimethylpyrimidine);tris(4-chloro-2,6-dimethylpyrimidine);bis(2-chloro-4,6-dimethyl-1,3,5-triazine);bis(2,4-dimethyl-6-(trifluoromethyl)pyridine);2,4-dimethyl-6-(trifluoromethyl)pyrimidine;4,6-dimethyl-2-(trifluoromethyl)pyrimidine;2,4-dimethyl-6-(trifluoromethyl)-1,3,5-triazine
• SMILES: Cc1cc(C(F)(F)F)nc(C)n1.Cc1cc(C)nc(C(F)(F)F)c1.Cc1cc(C)nc(C(F)(F)F)c1.Cc1cc(C)nc(C(F)(F)F)n1.Cc1cc(C)nc(Cl)c1.Cc1cc(C)nc(Cl)c1.Cc1cc(C)nc(Cl)c1.Cc1cc(C)nc(Cl)c1.Cc1cc(C)nc(Cl)n1.Cc1cc(C)nc(Cl)n1.Cc1cc(Cl)cc(C)n1.Cc1cc(Cl)nc(C)n1.Cc1cc(Cl)nc(C)n1.Cc1cc(Cl)nc(C)n1.Cc1nc(C)nc(C(F)(F)F)n1.Cc1nc(C)nc(Cl)n1.Cc1nc(C)nc(Cl)n1
• InChI: InChI=1S/2C8H8F3N.5C7H8ClN.2C7H7F3N2.5C6H7ClN2.C6H6F3N3.2C5H6ClN3/c2*1-5-3-6(2)12-7(4-5)8(9,10)11;1-5-3-7(8)4-6(2)9-5;4*1-5-3-6(2)9-7(8)4-5;1-4-3-6(7(8,9)10)12-5(2)11-4;1-4-3-5(2)12-6(11-4)7(8,9)10;3*1-4-3-6(7)9-5(2)8-4;2*1-4-3-5(2)9-6(7)8-4;1-3-10-4(2)12-5(11-3)6(7,8)9;2*1-3-7-4(2)9-5(6)8-3/h2*3-4H,1-2H3;5*3-4H,1-2H3;2*3H,1-2H3;5*3H,1-2H3;1-2H3;2*1-2H3
• InChIKey: GPLWKXHASAHMTF-UHFFFAOYSA-N
• XLogP: 33.94
• TPSA: 386.70 Ų
• H-Bond Acceptors: 30
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2587.82
LogP ≤ 5	33.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Tetrakis(2-chloro-4,6-dimethylpyridine);4-chloro-2,6-dimethylpyridine;bis(2-chloro-4,6-dimethylpyrimidine);tris(4-chloro-2,6-dimethylpyrimidine);bis(2-chloro-4,6-dimethyl-1,3,5-triazine);bis(2,4-dimethyl-6-(trifluoromethyl)pyridine);2,4-dimethyl-6-(trifluoromethyl)pyrimidine;4,6-dimethyl-2-(trifluoromethyl)pyrimidine;2,4-dimethyl-6-(trifluoromethyl)-1,3,5-triazine?

The IUPAC name of Tetrakis(2-chloro-4,6-dimethylpyridine);4-chloro-2,6-dimethylpyridine;bis(2-chloro-4,6-dimethylpyrimidine);tris(4-chloro-2,6-dimethylpyrimidine);bis(2-chloro-4,6-dimethyl-1,3,5-triazine);bis(2,4-dimethyl-6-(trifluoromethyl)pyridine);2,4-dimethyl-6-(trifluoromethyl)pyrimidine;4,6-dimethyl-2-(trifluoromethyl)pyrimidine;2,4-dimethyl-6-(trifluoromethyl)-1,3,5-triazine (CID 158326483) is tetrakis(2-chloro-4,6-dimethylpyridine);4-chloro-2,6-dimethylpyridine;bis(2-chloro-4,6-dimethylpyrimidine);tris(4-chloro-2,6-dimethylpyrimidine);bis(2-chloro-4,6-dimethyl-1,3,5-triazine);bis(2,4-dimethyl-6-(trifluoromethyl)pyridine);2,4-dimethyl-6-(trifluoromethyl)pyrimidine;4,6-dimethyl-2-(trifluoromethyl)pyrimidine;2,4-dimethyl-6-(trifluoromethyl)-1,3,5-triazine.

What is the SMILES notation for Tetrakis(2-chloro-4,6-dimethylpyridine);4-chloro-2,6-dimethylpyridine;bis(2-chloro-4,6-dimethylpyrimidine);tris(4-chloro-2,6-dimethylpyrimidine);bis(2-chloro-4,6-dimethyl-1,3,5-triazine);bis(2,4-dimethyl-6-(trifluoromethyl)pyridine);2,4-dimethyl-6-(trifluoromethyl)pyrimidine;4,6-dimethyl-2-(trifluoromethyl)pyrimidine;2,4-dimethyl-6-(trifluoromethyl)-1,3,5-triazine?

The canonical SMILES for Tetrakis(2-chloro-4,6-dimethylpyridine);4-chloro-2,6-dimethylpyridine;bis(2-chloro-4,6-dimethylpyrimidine);tris(4-chloro-2,6-dimethylpyrimidine);bis(2-chloro-4,6-dimethyl-1,3,5-triazine);bis(2,4-dimethyl-6-(trifluoromethyl)pyridine);2,4-dimethyl-6-(trifluoromethyl)pyrimidine;4,6-dimethyl-2-(trifluoromethyl)pyrimidine;2,4-dimethyl-6-(trifluoromethyl)-1,3,5-triazine is Cc1cc(C(F)(F)F)nc(C)n1.Cc1cc(C)nc(C(F)(F)F)c1.Cc1cc(C)nc(C(F)(F)F)c1.Cc1cc(C)nc(C(F)(F)F)n1.Cc1cc(C)nc(Cl)c1.Cc1cc(C)nc(Cl)c1.Cc1cc(C)nc(Cl)c1.Cc1cc(C)nc(Cl)c1.Cc1cc(C)nc(Cl)n1.Cc1cc(C)nc(Cl)n1.Cc1cc(Cl)cc(C)n1.Cc1cc(Cl)nc(C)n1.Cc1cc(Cl)nc(C)n1.Cc1cc(Cl)nc(C)n1.Cc1nc(C)nc(C(F)(F)F)n1.Cc1nc(C)nc(Cl)n1.Cc1nc(C)nc(Cl)n1.

What is the InChIKey of Tetrakis(2-chloro-4,6-dimethylpyridine);4-chloro-2,6-dimethylpyridine;bis(2-chloro-4,6-dimethylpyrimidine);tris(4-chloro-2,6-dimethylpyrimidine);bis(2-chloro-4,6-dimethyl-1,3,5-triazine);bis(2,4-dimethyl-6-(trifluoromethyl)pyridine);2,4-dimethyl-6-(trifluoromethyl)pyrimidine;4,6-dimethyl-2-(trifluoromethyl)pyrimidine;2,4-dimethyl-6-(trifluoromethyl)-1,3,5-triazine?

The InChIKey is GPLWKXHASAHMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8F3N.5C7H8ClN.2C7H7F3N2.5C6H7ClN2.C6H6F3N3.2C5H6ClN3/c2*1-5-3-6(2)12-7(4-5)8(9,10)11;1-5-3-7(8)4-6(2)9-5;4*1-5-3-6(2)9-7(8)4-5;1-4-3-6(7(8,9)10)12-5(2)11-4;1-4-3-5(2)12-6(11-4)7(8,9)10;3*1-4-3-6(7)9-5(2)8-4;2*1-4-3-5(2)9-6(7)8-4;1-3-10-4(2)12-5(11-3)6(7,8)9;2*1-3-7-4(2)9-5(6)8-3/h2*3-4H,1-2H3;5*3-4H,1-2H3;2*3H,1-2H3;5*3H,1-2H3;1-2H3;2*1-2H3.

What are the key properties of Tetrakis(2-chloro-4,6-dimethylpyridine);4-chloro-2,6-dimethylpyridine;bis(2-chloro-4,6-dimethylpyrimidine);tris(4-chloro-2,6-dimethylpyrimidine);bis(2-chloro-4,6-dimethyl-1,3,5-triazine);bis(2,4-dimethyl-6-(trifluoromethyl)pyridine);2,4-dimethyl-6-(trifluoromethyl)pyrimidine;4,6-dimethyl-2-(trifluoromethyl)pyrimidine;2,4-dimethyl-6-(trifluoromethyl)-1,3,5-triazine?

Tetrakis(2-chloro-4,6-dimethylpyridine);4-chloro-2,6-dimethylpyridine;bis(2-chloro-4,6-dimethylpyrimidine);tris(4-chloro-2,6-dimethylpyrimidine);bis(2-chloro-4,6-dimethyl-1,3,5-triazine);bis(2,4-dimethyl-6-(trifluoromethyl)pyridine);2,4-dimethyl-6-(trifluoromethyl)pyrimidine;4,6-dimethyl-2-(trifluoromethyl)pyrimidine;2,4-dimethyl-6-(trifluoromethyl)-1,3,5-triazine has a molecular weight of 2587.82 g/mol, XLogP of 33.94, 0 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for Tetrakis(2-chloro-4,6-dimethylpyridine);4-chloro-2,6-dimethylpyridine;bis(2-chloro-4,6-dimethylpyrimidine);tris(4-chloro-2,6-dimethylpyrimidine);bis(2-chloro-4,6-dimethyl-1,3,5-triazine);bis(2,4-dimethyl-6-(trifluoromethyl)pyridine);2,4-dimethyl-6-(trifluoromethyl)pyrimidine;4,6-dimethyl-2-(trifluoromethyl)pyrimidine;2,4-dimethyl-6-(trifluoromethyl)-1,3,5-triazine is sourced from PubChem (CID 158326483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158326483 — identifiers, structure, computed properties (public domain)

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