2-tert-butyl-5-chloro-3-methylpyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-4,6-dimethylpyridine;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;bis(2-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyridine;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butyl-6-(trifluoromethyl)pyridine;ethyl 6-tert-butylpyridine-3-carboxylate;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine

C156H221Cl3F9N17O7 — CID 158914236

About 2-tert-butyl-5-chloro-3-methylpyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-4,6-dimethylpyridine;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;bis(2-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyridine;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butyl-6-(trifluoromethyl)pyridine;ethyl 6-tert-butylpyridine-3-carboxylate;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine

2-tert-butyl-5-chloro-3-methylpyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-4,6-dimethylpyridine;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;bis(2-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyridine;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butyl-6-(trifluoromethyl)pyridine;ethyl 6-tert-butylpyridine-3-carboxylate;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine (PubChem CID 158914236) has the molecular formula C156H221Cl3F9N17O7 and a molecular weight of 2723.94 g/mol. Its IUPAC name is 2-tert-butyl-5-chloro-3-methylpyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-4,6-dimethylpyridine;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;bis(2-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyridine;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butyl-6-(trifluoromethyl)pyridine;ethyl 6-tert-butylpyridine-3-carboxylate;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine.

Molecular Properties

• Compound Name: 2-tert-butyl-5-chloro-3-methylpyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-4,6-dimethylpyridine;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;bis(2-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyridine;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butyl-6-(trifluoromethyl)pyridine;ethyl 6-tert-butylpyridine-3-carboxylate;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
• PubChem CID: 158914236
• Molecular Formula: C156H221Cl3F9N17O7
• Molecular Weight: 2723.94 g/mol
• Exact Mass: 2720.64
• IUPAC Name: 2-tert-butyl-5-chloro-3-methylpyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-4,6-dimethylpyridine;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;bis(2-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyridine;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butyl-6-(trifluoromethyl)pyridine;ethyl 6-tert-butylpyridine-3-carboxylate;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
• SMILES: CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1cccc(=O)[nH]1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1ncc(C(F)(F)F)cc1Cl.CC(C)c1nccc(C(F)(F)F)n1.CC(O)c1ccc(C(C)(C)C)nc1.CCOC(=O)c1ccc(C(C)(C)C)nc1.COc1ccc(C(C)(C)C)cn1.COc1ccnc(C(C)(C)C)c1.Cc1cc(C)nc(C(C)(C)C)c1.Cc1cc(Cl)cnc1C(C)(C)C.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)C)o1.Cc1ccnc(C(C)(C)C)c1.Cc1ccnc(C(C)(C)C)c1.Cc1ccnc(C(C)C)n1
• InChI: InChI=1S/C12H17NO2.C11H17NO.C11H17N.C10H11ClF3N.C10H14ClN.C10H12F3N.2C10H15NO.3C10H15N.C9H12ClN.C9H13NO.C8H9F3N2.C8H12N2.C8H12O/c1-5-15-11(14)9-6-7-10(13-8-9)12(2,3)4;1-8(13)9-5-6-10(12-7-9)11(2,3)4;1-8-6-9(2)12-10(7-8)11(3,4)5;1-9(2,3)8-7(11)4-6(5-15-8)10(12,13)14;1-7-5-8(11)6-12-9(7)10(2,3)4;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-10(2,3)9-7-8(12-4)5-6-11-9;1-10(2,3)8-5-6-9(12-4)11-7-8;1-8-5-6-9(7-11-8)10(2,3)4;2*1-8-5-6-11-9(7-8)10(2,3)4;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)7-5-4-6-8(11)10-7;1-5(2)7-12-4-3-6(13-7)8(9,10)11;1-6(2)8-9-5-4-7(3)10-8;1-6(2)8-5-4-7(3)9-8/h6-8H,5H2,1-4H3;5-8,13H,1-4H3;6-7H,1-5H3;4-5H,1-3H3;5-6H,1-4H3;4-6H,1-3H3;2*5-7H,1-4H3;3*5-7H,1-4H3;4-6H,1-3H3;4-6H,1-3H3,(H,10,11);3-5H,1-2H3;4-6H,1-3H3;4-6H,1-3H3
• InChIKey: JHAJXNUXEHKYEB-UHFFFAOYSA-N
• XLogP: 43.56
• TPSA: 317.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 8
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2723.94
LogP ≤ 5	43.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-chloro-3-methylpyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-4,6-dimethylpyridine;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;bis(2-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyridine;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butyl-6-(trifluoromethyl)pyridine;ethyl 6-tert-butylpyridine-3-carboxylate;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine?

The IUPAC name of 2-tert-butyl-5-chloro-3-methylpyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-4,6-dimethylpyridine;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;bis(2-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyridine;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butyl-6-(trifluoromethyl)pyridine;ethyl 6-tert-butylpyridine-3-carboxylate;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine (CID 158914236) is 2-tert-butyl-5-chloro-3-methylpyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-4,6-dimethylpyridine;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;bis(2-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyridine;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butyl-6-(trifluoromethyl)pyridine;ethyl 6-tert-butylpyridine-3-carboxylate;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine.

What is the SMILES notation for 2-tert-butyl-5-chloro-3-methylpyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-4,6-dimethylpyridine;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;bis(2-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyridine;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butyl-6-(trifluoromethyl)pyridine;ethyl 6-tert-butylpyridine-3-carboxylate;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine?

The canonical SMILES for 2-tert-butyl-5-chloro-3-methylpyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-4,6-dimethylpyridine;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;bis(2-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyridine;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butyl-6-(trifluoromethyl)pyridine;ethyl 6-tert-butylpyridine-3-carboxylate;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine is CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1cccc(=O)[nH]1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1ncc(C(F)(F)F)cc1Cl.CC(C)c1nccc(C(F)(F)F)n1.CC(O)c1ccc(C(C)(C)C)nc1.CCOC(=O)c1ccc(C(C)(C)C)nc1.COc1ccc(C(C)(C)C)cn1.COc1ccnc(C(C)(C)C)c1.Cc1cc(C)nc(C(C)(C)C)c1.Cc1cc(Cl)cnc1C(C)(C)C.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)C)o1.Cc1ccnc(C(C)(C)C)c1.Cc1ccnc(C(C)(C)C)c1.Cc1ccnc(C(C)C)n1.

What is the InChIKey of 2-tert-butyl-5-chloro-3-methylpyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-4,6-dimethylpyridine;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;bis(2-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyridine;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butyl-6-(trifluoromethyl)pyridine;ethyl 6-tert-butylpyridine-3-carboxylate;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine?

The InChIKey is JHAJXNUXEHKYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.C11H17NO.C11H17N.C10H11ClF3N.C10H14ClN.C10H12F3N.2C10H15NO.3C10H15N.C9H12ClN.C9H13NO.C8H9F3N2.C8H12N2.C8H12O/c1-5-15-11(14)9-6-7-10(13-8-9)12(2,3)4;1-8(13)9-5-6-10(12-7-9)11(2,3)4;1-8-6-9(2)12-10(7-8)11(3,4)5;1-9(2,3)8-7(11)4-6(5-15-8)10(12,13)14;1-7-5-8(11)6-12-9(7)10(2,3)4;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-10(2,3)9-7-8(12-4)5-6-11-9;1-10(2,3)8-5-6-9(12-4)11-7-8;1-8-5-6-9(7-11-8)10(2,3)4;2*1-8-5-6-11-9(7-8)10(2,3)4;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)7-5-4-6-8(11)10-7;1-5(2)7-12-4-3-6(13-7)8(9,10)11;1-6(2)8-9-5-4-7(3)10-8;1-6(2)8-5-4-7(3)9-8/h6-8H,5H2,1-4H3;5-8,13H,1-4H3;6-7H,1-5H3;4-5H,1-3H3;5-6H,1-4H3;4-6H,1-3H3;2*5-7H,1-4H3;3*5-7H,1-4H3;4-6H,1-3H3;4-6H,1-3H3,(H,10,11);3-5H,1-2H3;4-6H,1-3H3;4-6H,1-3H3.

What are the key properties of 2-tert-butyl-5-chloro-3-methylpyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-4,6-dimethylpyridine;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;bis(2-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyridine;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butyl-6-(trifluoromethyl)pyridine;ethyl 6-tert-butylpyridine-3-carboxylate;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine?

2-tert-butyl-5-chloro-3-methylpyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-4,6-dimethylpyridine;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;bis(2-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyridine;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butyl-6-(trifluoromethyl)pyridine;ethyl 6-tert-butylpyridine-3-carboxylate;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine has a molecular weight of 2723.94 g/mol, XLogP of 43.56, 8 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-5-chloro-3-methylpyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-4,6-dimethylpyridine;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;bis(2-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyridine;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butyl-6-(trifluoromethyl)pyridine;ethyl 6-tert-butylpyridine-3-carboxylate;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 158914236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).