bis(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);tris(3-fluoro-2-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyridine);3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]pyridine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine)

C149H95F28N23O — CID 159653955

About bis(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);tris(3-fluoro-2-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyridine);3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]pyridine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine)

bis(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);tris(3-fluoro-2-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyridine);3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]pyridine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine) (PubChem CID 159653955) has the molecular formula C149H95F28N23O and a molecular weight of 2755.50 g/mol. Its IUPAC name is bis(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);tris(3-fluoro-2-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyridine);3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]pyridine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine).

Molecular Properties

• Compound Name: bis(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);tris(3-fluoro-2-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyridine);3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]pyridine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine)
• PubChem CID: 159653955
• Molecular Formula: C149H95F28N23O
• Molecular Weight: 2755.50 g/mol
• Exact Mass: 2753.76
• IUPAC Name: bis(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);tris(3-fluoro-2-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyridine);3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]pyridine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine)
• SMILES: Cc1ccc(-c2cnc(-c3ccc(F)cc3)c(F)c2)nc1.Cc1ccc(-c2cnc(-c3ccc(F)cc3)c(F)c2)nc1.Cc1ccc(-c2cnc(-c3ccc(F)cc3)c(F)c2)nc1.Cc1ccc(-c2cnc(-c3ccc(OC(F)(F)F)cc3)c(F)c2)nc1.Cc1cnc(-c2cnc(-c3cc(F)c(F)c(F)c3)c(F)c2)nc1.Cc1cnc(-c2cnc(-c3cc(F)c(F)c(F)c3)c(F)c2)nc1.Cc1cnc(-c2cnc(-c3cc(F)c(F)c(F)c3)c(F)c2)nc1.Cc1cnc(-c2cnc(-c3ccc(F)c(F)c3)c(F)c2)nc1.Cc1cnc(-c2cnc(-c3ccc(F)c(F)c3)c(F)c2)nc1
• InChI: InChI=1S/C18H12F4N2O.3C17H12F2N2.3C16H9F4N3.2C16H10F3N3/c1-11-2-7-16(23-9-11)13-8-15(19)17(24-10-13)12-3-5-14(6-4-12)25-18(20,21)22;3*1-11-2-7-16(20-9-11)13-8-15(19)17(21-10-13)12-3-5-14(18)6-4-12;3*1-8-5-22-16(23-6-8)10-4-13(19)15(21-7-10)9-2-11(17)14(20)12(18)3-9;2*1-9-6-21-16(22-7-9)11-5-14(19)15(20-8-11)10-2-3-12(17)13(18)4-10/h2-10H,1H3;3*2-10H,1H3;3*2-7H,1H3;2*2-8H,1H3
• InChIKey: MRXZBNNLHUBLKC-UHFFFAOYSA-N
• XLogP: 38.42
• TPSA: 305.70 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2755.50
LogP ≤ 5	38.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);tris(3-fluoro-2-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyridine);3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]pyridine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine)?

The IUPAC name of bis(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);tris(3-fluoro-2-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyridine);3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]pyridine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine) (CID 159653955) is bis(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);tris(3-fluoro-2-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyridine);3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]pyridine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine).

What is the SMILES notation for bis(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);tris(3-fluoro-2-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyridine);3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]pyridine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine)?

The canonical SMILES for bis(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);tris(3-fluoro-2-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyridine);3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]pyridine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine) is Cc1ccc(-c2cnc(-c3ccc(F)cc3)c(F)c2)nc1.Cc1ccc(-c2cnc(-c3ccc(F)cc3)c(F)c2)nc1.Cc1ccc(-c2cnc(-c3ccc(F)cc3)c(F)c2)nc1.Cc1ccc(-c2cnc(-c3ccc(OC(F)(F)F)cc3)c(F)c2)nc1.Cc1cnc(-c2cnc(-c3cc(F)c(F)c(F)c3)c(F)c2)nc1.Cc1cnc(-c2cnc(-c3cc(F)c(F)c(F)c3)c(F)c2)nc1.Cc1cnc(-c2cnc(-c3cc(F)c(F)c(F)c3)c(F)c2)nc1.Cc1cnc(-c2cnc(-c3ccc(F)c(F)c3)c(F)c2)nc1.Cc1cnc(-c2cnc(-c3ccc(F)c(F)c3)c(F)c2)nc1.

What is the InChIKey of bis(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);tris(3-fluoro-2-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyridine);3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]pyridine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine)?

The InChIKey is MRXZBNNLHUBLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N2O.3C17H12F2N2.3C16H9F4N3.2C16H10F3N3/c1-11-2-7-16(23-9-11)13-8-15(19)17(24-10-13)12-3-5-14(6-4-12)25-18(20,21)22;3*1-11-2-7-16(20-9-11)13-8-15(19)17(21-10-13)12-3-5-14(18)6-4-12;3*1-8-5-22-16(23-6-8)10-4-13(19)15(21-7-10)9-2-11(17)14(20)12(18)3-9;2*1-9-6-21-16(22-7-9)11-5-14(19)15(20-8-11)10-2-3-12(17)13(18)4-10/h2-10H,1H3;3*2-10H,1H3;3*2-7H,1H3;2*2-8H,1H3.

What are the key properties of bis(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);tris(3-fluoro-2-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyridine);3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]pyridine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine)?

bis(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);tris(3-fluoro-2-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyridine);3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]pyridine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine) has a molecular weight of 2755.50 g/mol, XLogP of 38.42, 19 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);tris(3-fluoro-2-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyridine);3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]pyridine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine) is sourced from PubChem (CID 159653955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).