bis(2-chloro-6-methyl-4-propan-2-ylpyridine);2-chloro-4-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;5-fluoro-2-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylthiophene;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;2-nitro-5-propan-2-ylfuran;2-propan-2-ylfuran;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-4-propan-2-ylbenzene;1,2,3-trifluoro-5-propan-2-ylbenzene;1,2,4-trifluoro-3-propan-2-ylbenzene;1,2,5-trifluoro-3-propan-2-ylbenzene

C159H203Cl5F16N10O8S4 — CID 161379617

About bis(2-chloro-6-methyl-4-propan-2-ylpyridine);2-chloro-4-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;5-fluoro-2-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylthiophene;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;2-nitro-5-propan-2-ylfuran;2-propan-2-ylfuran;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-4-propan-2-ylbenzene;1,2,3-trifluoro-5-propan-2-ylbenzene;1,2,4-trifluoro-3-propan-2-ylbenzene;1,2,5-trifluoro-3-propan-2-ylbenzene

bis(2-chloro-6-methyl-4-propan-2-ylpyridine);2-chloro-4-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;5-fluoro-2-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylthiophene;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;2-nitro-5-propan-2-ylfuran;2-propan-2-ylfuran;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-4-propan-2-ylbenzene;1,2,3-trifluoro-5-propan-2-ylbenzene;1,2,4-trifluoro-3-propan-2-ylbenzene;1,2,5-trifluoro-3-propan-2-ylbenzene (PubChem CID 161379617) has the molecular formula C159H203Cl5F16N10O8S4 and a molecular weight of 2991.94 g/mol. Its IUPAC name is bis(2-chloro-6-methyl-4-propan-2-ylpyridine);2-chloro-4-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;5-fluoro-2-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylthiophene;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;2-nitro-5-propan-2-ylfuran;2-propan-2-ylfuran;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-4-propan-2-ylbenzene;1,2,3-trifluoro-5-propan-2-ylbenzene;1,2,4-trifluoro-3-propan-2-ylbenzene;1,2,5-trifluoro-3-propan-2-ylbenzene.

Molecular Properties

• Compound Name: bis(2-chloro-6-methyl-4-propan-2-ylpyridine);2-chloro-4-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;5-fluoro-2-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylthiophene;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;2-nitro-5-propan-2-ylfuran;2-propan-2-ylfuran;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-4-propan-2-ylbenzene;1,2,3-trifluoro-5-propan-2-ylbenzene;1,2,4-trifluoro-3-propan-2-ylbenzene;1,2,5-trifluoro-3-propan-2-ylbenzene
• PubChem CID: 161379617
• Molecular Formula: C159H203Cl5F16N10O8S4
• Molecular Weight: 2991.94 g/mol
• Exact Mass: 2987.29
• IUPAC Name: bis(2-chloro-6-methyl-4-propan-2-ylpyridine);2-chloro-4-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;5-fluoro-2-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylthiophene;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;2-nitro-5-propan-2-ylfuran;2-propan-2-ylfuran;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-4-propan-2-ylbenzene;1,2,3-trifluoro-5-propan-2-ylbenzene;1,2,4-trifluoro-3-propan-2-ylbenzene;1,2,5-trifluoro-3-propan-2-ylbenzene
• SMILES: CC(C)c1c(F)ccc(F)c1F.CC(C)c1cc(F)c(F)c(F)c1.CC(C)c1cc(F)cc(F)c1F.CC(C)c1ccc(Cl)nc1.CC(C)c1ccc(F)c(F)c1F.CC(C)c1ccc(F)cn1.CC(C)c1ccc([N+](=O)[O-])o1.CC(C)c1ccccn1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccnc(Cl)c1.CC(C)c1ccno1.CC(C)c1ccsc1.CC(C)c1ncccc1O.CC(C)c1sccc1Cl.Cc1cc(C(C)C)c(C(F)(F)F)o1.Cc1cc(C(C)C)cc(Cl)n1.Cc1cc(C(C)C)cc(Cl)n1.Cc1cc(C(C)C)on1.Cc1ccsc1C(C)C
• InChI: InChI=1S/2C9H12ClN.C9H11F3O.4C9H9F3.2C8H10ClN.C8H10FN.C8H11NO.C8H11N.C8H12S.C7H9ClS.C7H9NO3.C7H11NO.C7H10O.2C7H10S.C6H9NO/c2*1-6(2)8-4-7(3)11-9(10)5-8;1-5(2)7-4-6(3)13-8(7)9(10,11)12;1-5(2)7-3-6(10)4-8(11)9(7)12;1-5(2)6-3-7(10)9(12)8(11)4-6;1-5(2)8-6(10)3-4-7(11)9(8)12;1-5(2)6-3-4-7(10)9(12)8(6)11;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-3-4-8(9)10-5-7;1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-7(10)4-3-5-9-8;1-7(2)8-5-3-4-6-9-8;1-6(2)8-7(3)4-5-9-8;1-5(2)7-6(8)3-4-9-7;1-5(2)6-3-4-7(11-6)8(9)10;1-5(2)7-4-6(3)8-9-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6/h2*4-6H,1-3H3;4-5H,1-3H3;4*3-5H,1-2H3;3*3-6H,1-2H3;3-6,10H,1-2H3;3-7H,1-2H3;4-6H,1-3H3;3-5H,1-2H3;3-5H,1-2H3;4-5H,1-3H3;3*3-6H,1-2H3;3-5H,1-2H3
• InChIKey: VRNXNCVSRJOBMD-UHFFFAOYSA-N
• XLogP: 56.22
• TPSA: 245.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2991.94
LogP ≤ 5	56.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2-chloro-6-methyl-4-propan-2-ylpyridine);2-chloro-4-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;5-fluoro-2-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylthiophene;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;2-nitro-5-propan-2-ylfuran;2-propan-2-ylfuran;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-4-propan-2-ylbenzene;1,2,3-trifluoro-5-propan-2-ylbenzene;1,2,4-trifluoro-3-propan-2-ylbenzene;1,2,5-trifluoro-3-propan-2-ylbenzene?

The IUPAC name of bis(2-chloro-6-methyl-4-propan-2-ylpyridine);2-chloro-4-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;5-fluoro-2-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylthiophene;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;2-nitro-5-propan-2-ylfuran;2-propan-2-ylfuran;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-4-propan-2-ylbenzene;1,2,3-trifluoro-5-propan-2-ylbenzene;1,2,4-trifluoro-3-propan-2-ylbenzene;1,2,5-trifluoro-3-propan-2-ylbenzene (CID 161379617) is bis(2-chloro-6-methyl-4-propan-2-ylpyridine);2-chloro-4-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;5-fluoro-2-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylthiophene;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;2-nitro-5-propan-2-ylfuran;2-propan-2-ylfuran;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-4-propan-2-ylbenzene;1,2,3-trifluoro-5-propan-2-ylbenzene;1,2,4-trifluoro-3-propan-2-ylbenzene;1,2,5-trifluoro-3-propan-2-ylbenzene.

What is the SMILES notation for bis(2-chloro-6-methyl-4-propan-2-ylpyridine);2-chloro-4-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;5-fluoro-2-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylthiophene;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;2-nitro-5-propan-2-ylfuran;2-propan-2-ylfuran;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-4-propan-2-ylbenzene;1,2,3-trifluoro-5-propan-2-ylbenzene;1,2,4-trifluoro-3-propan-2-ylbenzene;1,2,5-trifluoro-3-propan-2-ylbenzene?

The canonical SMILES for bis(2-chloro-6-methyl-4-propan-2-ylpyridine);2-chloro-4-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;5-fluoro-2-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylthiophene;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;2-nitro-5-propan-2-ylfuran;2-propan-2-ylfuran;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-4-propan-2-ylbenzene;1,2,3-trifluoro-5-propan-2-ylbenzene;1,2,4-trifluoro-3-propan-2-ylbenzene;1,2,5-trifluoro-3-propan-2-ylbenzene is CC(C)c1c(F)ccc(F)c1F.CC(C)c1cc(F)c(F)c(F)c1.CC(C)c1cc(F)cc(F)c1F.CC(C)c1ccc(Cl)nc1.CC(C)c1ccc(F)c(F)c1F.CC(C)c1ccc(F)cn1.CC(C)c1ccc([N+](=O)[O-])o1.CC(C)c1ccccn1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccnc(Cl)c1.CC(C)c1ccno1.CC(C)c1ccsc1.CC(C)c1ncccc1O.CC(C)c1sccc1Cl.Cc1cc(C(C)C)c(C(F)(F)F)o1.Cc1cc(C(C)C)cc(Cl)n1.Cc1cc(C(C)C)cc(Cl)n1.Cc1cc(C(C)C)on1.Cc1ccsc1C(C)C.

What is the InChIKey of bis(2-chloro-6-methyl-4-propan-2-ylpyridine);2-chloro-4-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;5-fluoro-2-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylthiophene;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;2-nitro-5-propan-2-ylfuran;2-propan-2-ylfuran;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-4-propan-2-ylbenzene;1,2,3-trifluoro-5-propan-2-ylbenzene;1,2,4-trifluoro-3-propan-2-ylbenzene;1,2,5-trifluoro-3-propan-2-ylbenzene?

The InChIKey is VRNXNCVSRJOBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H12ClN.C9H11F3O.4C9H9F3.2C8H10ClN.C8H10FN.C8H11NO.C8H11N.C8H12S.C7H9ClS.C7H9NO3.C7H11NO.C7H10O.2C7H10S.C6H9NO/c2*1-6(2)8-4-7(3)11-9(10)5-8;1-5(2)7-4-6(3)13-8(7)9(10,11)12;1-5(2)7-3-6(10)4-8(11)9(7)12;1-5(2)6-3-7(10)9(12)8(11)4-6;1-5(2)8-6(10)3-4-7(11)9(8)12;1-5(2)6-3-4-7(10)9(12)8(6)11;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-3-4-8(9)10-5-7;1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-7(10)4-3-5-9-8;1-7(2)8-5-3-4-6-9-8;1-6(2)8-7(3)4-5-9-8;1-5(2)7-6(8)3-4-9-7;1-5(2)6-3-4-7(11-6)8(9)10;1-5(2)7-4-6(3)8-9-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6/h2*4-6H,1-3H3;4-5H,1-3H3;4*3-5H,1-2H3;3*3-6H,1-2H3;3-6,10H,1-2H3;3-7H,1-2H3;4-6H,1-3H3;3-5H,1-2H3;3-5H,1-2H3;4-5H,1-3H3;3*3-6H,1-2H3;3-5H,1-2H3.

What are the key properties of bis(2-chloro-6-methyl-4-propan-2-ylpyridine);2-chloro-4-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;5-fluoro-2-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylthiophene;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;2-nitro-5-propan-2-ylfuran;2-propan-2-ylfuran;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-4-propan-2-ylbenzene;1,2,3-trifluoro-5-propan-2-ylbenzene;1,2,4-trifluoro-3-propan-2-ylbenzene;1,2,5-trifluoro-3-propan-2-ylbenzene?

bis(2-chloro-6-methyl-4-propan-2-ylpyridine);2-chloro-4-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;5-fluoro-2-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylthiophene;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;2-nitro-5-propan-2-ylfuran;2-propan-2-ylfuran;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-4-propan-2-ylbenzene;1,2,3-trifluoro-5-propan-2-ylbenzene;1,2,4-trifluoro-3-propan-2-ylbenzene;1,2,5-trifluoro-3-propan-2-ylbenzene has a molecular weight of 2991.94 g/mol, XLogP of 56.22, 21 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-chloro-6-methyl-4-propan-2-ylpyridine);2-chloro-4-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;5-fluoro-2-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylthiophene;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;2-nitro-5-propan-2-ylfuran;2-propan-2-ylfuran;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-4-propan-2-ylbenzene;1,2,3-trifluoro-5-propan-2-ylbenzene;1,2,4-trifluoro-3-propan-2-ylbenzene;1,2,5-trifluoro-3-propan-2-ylbenzene is sourced from PubChem (CID 161379617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).