5-bromo-2-chloro-4-propan-2-ylpyridine;2-tert-butyl-1-methylimidazole;2-tert-butylpyridine;3-tert-butylpyridine;2-chloro-4-propan-2-ylpyridine;methane;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-3-propan-2-ylpyridine;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine

C113H160BrCl2F3N18O6 — CID 158437216

About 5-bromo-2-chloro-4-propan-2-ylpyridine;2-tert-butyl-1-methylimidazole;2-tert-butylpyridine;3-tert-butylpyridine;2-chloro-4-propan-2-ylpyridine;methane;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-3-propan-2-ylpyridine;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine

5-bromo-2-chloro-4-propan-2-ylpyridine;2-tert-butyl-1-methylimidazole;2-tert-butylpyridine;3-tert-butylpyridine;2-chloro-4-propan-2-ylpyridine;methane;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-3-propan-2-ylpyridine;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine (PubChem CID 158437216) has the molecular formula C113H160BrCl2F3N18O6 and a molecular weight of 2074.45 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-propan-2-ylpyridine;2-tert-butyl-1-methylimidazole;2-tert-butylpyridine;3-tert-butylpyridine;2-chloro-4-propan-2-ylpyridine;methane;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-3-propan-2-ylpyridine;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 5-bromo-2-chloro-4-propan-2-ylpyridine;2-tert-butyl-1-methylimidazole;2-tert-butylpyridine;3-tert-butylpyridine;2-chloro-4-propan-2-ylpyridine;methane;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-3-propan-2-ylpyridine;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine
• PubChem CID: 158437216
• Molecular Formula: C113H160BrCl2F3N18O6
• Molecular Weight: 2074.45 g/mol
• Exact Mass: 2071.13
• IUPAC Name: 5-bromo-2-chloro-4-propan-2-ylpyridine;2-tert-butyl-1-methylimidazole;2-tert-butylpyridine;3-tert-butylpyridine;2-chloro-4-propan-2-ylpyridine;methane;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-3-propan-2-ylpyridine;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine
• SMILES: C.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)c1cc(Cl)ncc1Br.CC(C)c1cccnc1[N+](=O)[O-].CC(C)c1ccnc(Cl)c1.CC(C)c1ccncc1.CC(C)c1ccncc1C#N.CC(C)c1ccncc1C(F)(F)F.Cc1cnc(C(C)C)o1.Cc1ncccc1C(C)C.Cc1nnc(C(C)C)o1.Cc1noc(C(C)C)n1.Cc1occc1C(C)C.Cn1ccnc1C(C)(C)C
• InChI: InChI=1S/C9H10F3N.C9H10N2.3C9H13N.C8H9BrClN.C8H10ClN.C8H10N2O2.C8H14N2.C8H11N.C8H12O.C7H11NO.2C6H10N2O.CH4/c1-6(2)7-3-4-13-5-8(7)9(10,11)12;1-7(2)9-3-4-11-6-8(9)5-10;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-7(2)9-5-4-6-10-8(9)3;1-5(2)6-3-8(10)11-4-7(6)9;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-4-3-5-9-8(7)10(11)12;1-8(2,3)7-9-5-6-10(7)4;1-7(2)8-3-5-9-6-4-8;1-6(2)8-4-5-9-7(8)3;1-5(2)7-8-4-6(3)9-7;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)8-9-6;/h3-6H,1-2H3;3-4,6-7H,1-2H3;3*4-7H,1-3H3;3-5H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;5-6H,1-4H3;3-7H,1-2H3;4-6H,1-3H3;4-5H,1-3H3;2*4H,1-3H3;1H4
• InChIKey: HCJLNLGYOOEQCK-UHFFFAOYSA-N
• XLogP: 33.54
• TPSA: 317.77 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 12
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2074.45
LogP ≤ 5	33.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', '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 5-bromo-2-chloro-4-propan-2-ylpyridine;2-tert-butyl-1-methylimidazole;2-tert-butylpyridine;3-tert-butylpyridine;2-chloro-4-propan-2-ylpyridine;methane;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-3-propan-2-ylpyridine;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine?

The IUPAC name of 5-bromo-2-chloro-4-propan-2-ylpyridine;2-tert-butyl-1-methylimidazole;2-tert-butylpyridine;3-tert-butylpyridine;2-chloro-4-propan-2-ylpyridine;methane;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-3-propan-2-ylpyridine;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine (CID 158437216) is 5-bromo-2-chloro-4-propan-2-ylpyridine;2-tert-butyl-1-methylimidazole;2-tert-butylpyridine;3-tert-butylpyridine;2-chloro-4-propan-2-ylpyridine;methane;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-3-propan-2-ylpyridine;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine.

What is the SMILES notation for 5-bromo-2-chloro-4-propan-2-ylpyridine;2-tert-butyl-1-methylimidazole;2-tert-butylpyridine;3-tert-butylpyridine;2-chloro-4-propan-2-ylpyridine;methane;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-3-propan-2-ylpyridine;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine?

The canonical SMILES for 5-bromo-2-chloro-4-propan-2-ylpyridine;2-tert-butyl-1-methylimidazole;2-tert-butylpyridine;3-tert-butylpyridine;2-chloro-4-propan-2-ylpyridine;methane;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-3-propan-2-ylpyridine;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine is C.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)c1cc(Cl)ncc1Br.CC(C)c1cccnc1[N+](=O)[O-].CC(C)c1ccnc(Cl)c1.CC(C)c1ccncc1.CC(C)c1ccncc1C#N.CC(C)c1ccncc1C(F)(F)F.Cc1cnc(C(C)C)o1.Cc1ncccc1C(C)C.Cc1nnc(C(C)C)o1.Cc1noc(C(C)C)n1.Cc1occc1C(C)C.Cn1ccnc1C(C)(C)C.

What is the InChIKey of 5-bromo-2-chloro-4-propan-2-ylpyridine;2-tert-butyl-1-methylimidazole;2-tert-butylpyridine;3-tert-butylpyridine;2-chloro-4-propan-2-ylpyridine;methane;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-3-propan-2-ylpyridine;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine?

The InChIKey is HCJLNLGYOOEQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N.C9H10N2.3C9H13N.C8H9BrClN.C8H10ClN.C8H10N2O2.C8H14N2.C8H11N.C8H12O.C7H11NO.2C6H10N2O.CH4/c1-6(2)7-3-4-13-5-8(7)9(10,11)12;1-7(2)9-3-4-11-6-8(9)5-10;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-7(2)9-5-4-6-10-8(9)3;1-5(2)6-3-8(10)11-4-7(6)9;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-4-3-5-9-8(7)10(11)12;1-8(2,3)7-9-5-6-10(7)4;1-7(2)8-3-5-9-6-4-8;1-6(2)8-4-5-9-7(8)3;1-5(2)7-8-4-6(3)9-7;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)8-9-6;/h3-6H,1-2H3;3-4,6-7H,1-2H3;3*4-7H,1-3H3;3-5H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;5-6H,1-4H3;3-7H,1-2H3;4-6H,1-3H3;4-5H,1-3H3;2*4H,1-3H3;1H4.

What are the key properties of 5-bromo-2-chloro-4-propan-2-ylpyridine;2-tert-butyl-1-methylimidazole;2-tert-butylpyridine;3-tert-butylpyridine;2-chloro-4-propan-2-ylpyridine;methane;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-3-propan-2-ylpyridine;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine?

5-bromo-2-chloro-4-propan-2-ylpyridine;2-tert-butyl-1-methylimidazole;2-tert-butylpyridine;3-tert-butylpyridine;2-chloro-4-propan-2-ylpyridine;methane;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-3-propan-2-ylpyridine;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine has a molecular weight of 2074.45 g/mol, XLogP of 33.54, 12 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-chloro-4-propan-2-ylpyridine;2-tert-butyl-1-methylimidazole;2-tert-butylpyridine;3-tert-butylpyridine;2-chloro-4-propan-2-ylpyridine;methane;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-3-propan-2-ylpyridine;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 158437216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).