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

C155H99F34N21O2 — CID 158475746

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

2-(3,4-difluorophenyl)-3-fluoro-5-(5-methyl-2-pyridinyl)pyridine;2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine;bis(3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]pyridine);tris(3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]pyridine);bis(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine) (PubChem CID 158475746) has the molecular formula C155H99F34N21O2 and a molecular weight of 2933.57 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-3-fluoro-5-(5-methyl-2-pyridinyl)pyridine;2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine;bis(3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]pyridine);tris(3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]pyridine);bis(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine).

Molecular Properties

• Compound Name: 2-(3,4-difluorophenyl)-3-fluoro-5-(5-methyl-2-pyridinyl)pyridine;2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine;bis(3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]pyridine);tris(3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]pyridine);bis(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine)
• PubChem CID: 158475746
• Molecular Formula: C155H99F34N21O2
• Molecular Weight: 2933.57 g/mol
• Exact Mass: 2931.77
• IUPAC Name: 2-(3,4-difluorophenyl)-3-fluoro-5-(5-methyl-2-pyridinyl)pyridine;2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine;bis(3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]pyridine);tris(3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]pyridine);bis(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine)
• SMILES: Cc1ccc(-c2cnc(-c3ccc(C(F)(F)F)cc3)c(F)c2)nc1.Cc1ccc(-c2cnc(-c3ccc(C(F)(F)F)cc3)c(F)c2)nc1.Cc1ccc(-c2cnc(-c3ccc(C(F)(F)F)cc3)c(F)c2)nc1.Cc1ccc(-c2cnc(-c3ccc(F)c(F)c3)c(F)c2)nc1.Cc1ccc(-c2cnc(-c3ccc(OC(F)(F)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(-c3ccc(F)c(F)c3)c(F)c2)nc1
• InChI: InChI=1S/2C18H12F4N2O.3C18H12F4N2.C17H11F3N2.2C16H9F4N3.C16H10F3N3/c2*1-11-2-7-16(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(23-9-11)13-8-15(19)17(24-10-13)12-3-5-14(6-4-12)18(20,21)22;1-10-2-5-16(21-8-10)12-7-15(20)17(22-9-12)11-3-4-13(18)14(19)6-11;2*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;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*2-10H,1H3;3*2-10H,1H3;2-9H,1H3;2*2-7H,1H3;2-8H,1H3
• InChIKey: HGXGVZQWUUYCJP-UHFFFAOYSA-N
• XLogP: 42.75
• TPSA: 289.15 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2933.57
LogP ≤ 5	42.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-(3,4-difluorophenyl)-3-fluoro-5-(5-methyl-2-pyridinyl)pyridine;2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine;bis(3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]pyridine);tris(3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]pyridine);bis(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine) (CID 158475746) is 2-(3,4-difluorophenyl)-3-fluoro-5-(5-methyl-2-pyridinyl)pyridine;2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine;bis(3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]pyridine);tris(3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]pyridine);bis(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine).

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

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

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

The InChIKey is HGXGVZQWUUYCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H12F4N2O.3C18H12F4N2.C17H11F3N2.2C16H9F4N3.C16H10F3N3/c2*1-11-2-7-16(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(23-9-11)13-8-15(19)17(24-10-13)12-3-5-14(6-4-12)18(20,21)22;1-10-2-5-16(21-8-10)12-7-15(20)17(22-9-12)11-3-4-13(18)14(19)6-11;2*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;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*2-10H,1H3;3*2-10H,1H3;2-9H,1H3;2*2-7H,1H3;2-8H,1H3.

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

2-(3,4-difluorophenyl)-3-fluoro-5-(5-methyl-2-pyridinyl)pyridine;2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine;bis(3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]pyridine);tris(3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]pyridine);bis(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine) has a molecular weight of 2933.57 g/mol, XLogP of 42.75, 20 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-difluorophenyl)-3-fluoro-5-(5-methyl-2-pyridinyl)pyridine;2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine;bis(3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]pyridine);tris(3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]pyridine);bis(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine) is sourced from PubChem (CID 158475746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).