tris(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);tris(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;methane

C113H127Cl11F18N30 — CID 158501367

About tris(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);tris(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;methane

tris(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);tris(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;methane (PubChem CID 158501367) has the molecular formula C113H127Cl11F18N30 and a molecular weight of 2637.42 g/mol. Its IUPAC name is tris(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);tris(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;methane.

Molecular Properties

• Compound Name: tris(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);tris(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;methane
• PubChem CID: 158501367
• Molecular Formula: C113H127Cl11F18N30
• Molecular Weight: 2637.42 g/mol
• Exact Mass: 2630.71
• IUPAC Name: tris(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);tris(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;methane
• SMILES: C.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)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)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/3C8H8F3N.4C7H8ClN.2C7H7F3N2.5C6H7ClN2.C6H6F3N3.2C5H6ClN3.CH4/c3*1-5-3-6(2)12-7(4-5)8(9,10)11;1-5-3-7(8)4-6(2)9-5;3*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;/h3*3-4H,1-2H3;4*3-4H,1-2H3;2*3H,1-2H3;5*3H,1-2H3;1-2H3;2*1-2H3;1H4
• InChIKey: HJXYVAZGQHPQKC-UHFFFAOYSA-N
• XLogP: 34.94
• TPSA: 386.70 Ų
• H-Bond Acceptors: 30
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2637.42
LogP ≤ 5	34.94
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 tris(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);tris(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;methane?

The IUPAC name of tris(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);tris(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;methane (CID 158501367) is tris(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);tris(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;methane.

What is the SMILES notation for tris(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);tris(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;methane?

The canonical SMILES for tris(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);tris(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;methane is C.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)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)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 tris(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);tris(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;methane?

The InChIKey is HJXYVAZGQHPQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H8F3N.4C7H8ClN.2C7H7F3N2.5C6H7ClN2.C6H6F3N3.2C5H6ClN3.CH4/c3*1-5-3-6(2)12-7(4-5)8(9,10)11;1-5-3-7(8)4-6(2)9-5;3*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;/h3*3-4H,1-2H3;4*3-4H,1-2H3;2*3H,1-2H3;5*3H,1-2H3;1-2H3;2*1-2H3;1H4.

What are the key properties of tris(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);tris(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;methane?

tris(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);tris(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;methane has a molecular weight of 2637.42 g/mol, XLogP of 34.94, 0 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for tris(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);tris(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;methane is sourced from PubChem (CID 158501367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).