1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butylpyrimidine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;ethyl 6-propan-2-ylpyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine

C133H174Cl3F12N17O6S — CID 159724005

About 1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butylpyrimidine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;ethyl 6-propan-2-ylpyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine

1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butylpyrimidine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;ethyl 6-propan-2-ylpyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine (PubChem CID 159724005) has the molecular formula C133H174Cl3F12N17O6S and a molecular weight of 2473.37 g/mol. Its IUPAC name is 1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butylpyrimidine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;ethyl 6-propan-2-ylpyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine.

Molecular Properties

• Compound Name: 1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butylpyrimidine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;ethyl 6-propan-2-ylpyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
• PubChem CID: 159724005
• Molecular Formula: C133H174Cl3F12N17O6S
• Molecular Weight: 2473.37 g/mol
• Exact Mass: 2470.24
• IUPAC Name: 1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butylpyrimidine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;ethyl 6-propan-2-ylpyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
• SMILES: CC(C)(C)c1ncccn1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(Cl)nc1.CC(C)c1ccc2ccccc2n1.CC(C)c1cccc(=O)[nH]1.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1ncc(C(F)(F)F)cc1Cl.CC(C)c1nccc(C(F)(F)F)n1.CC(C)c1nccs1.CC(O)c1ccc(C(C)(C)C)nc1.CCOC(=O)c1ccc(C(C)C)nc1.COc1ccc(C(C)C)cn1.Cc1cc(Cl)cnc1C(C)C.Cc1ccc(C(C)C)o1.Cc1ccnc(C(C)C)n1
• InChI: InChI=1S/C12H13N.C11H15NO2.C11H17NO.C9H9ClF3N.C9H12ClN.2C9H10F3N.C9H13NO.C8H10ClN.C8H9F3N2.2C8H12N2.C8H11NO.C8H12O.C6H9NS/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-4-14-11(13)9-5-6-10(8(2)3)12-7-9;1-8(13)9-5-6-10(12-7-9)11(2,3)4;1-5(2)8-7(10)3-6(4-14-8)9(11,12)13;1-6(2)9-7(3)4-8(10)5-11-9;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-7(2)8-4-5-9(11-3)10-6-8;1-6(2)7-3-4-8(9)10-5-7;1-5(2)7-12-4-3-6(13-7)8(9,10)11;1-8(2,3)7-9-5-4-6-10-7;1-6(2)8-9-5-4-7(3)10-8;1-6(2)7-4-3-5-8(10)9-7;1-6(2)8-5-4-7(3)9-8;1-5(2)6-7-3-4-8-6/h3-9H,1-2H3;5-8H,4H2,1-3H3;5-8,13H,1-4H3;3-5H,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3;4-7H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;2*4-6H,1-3H3;3-6H,1-2H3,(H,9,10);4-6H,1-3H3;3-5H,1-2H3
• InChIKey: NAKADNHLYLCUBI-UHFFFAOYSA-N
• XLogP: 39.51
• TPSA: 308.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2473.37
LogP ≤ 5	39.51
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 1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butylpyrimidine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;ethyl 6-propan-2-ylpyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine?

The IUPAC name of 1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butylpyrimidine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;ethyl 6-propan-2-ylpyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine (CID 159724005) is 1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butylpyrimidine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;ethyl 6-propan-2-ylpyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine.

What is the SMILES notation for 1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butylpyrimidine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;ethyl 6-propan-2-ylpyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine?

The canonical SMILES for 1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butylpyrimidine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;ethyl 6-propan-2-ylpyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine is CC(C)(C)c1ncccn1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(Cl)nc1.CC(C)c1ccc2ccccc2n1.CC(C)c1cccc(=O)[nH]1.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1ncc(C(F)(F)F)cc1Cl.CC(C)c1nccc(C(F)(F)F)n1.CC(C)c1nccs1.CC(O)c1ccc(C(C)(C)C)nc1.CCOC(=O)c1ccc(C(C)C)nc1.COc1ccc(C(C)C)cn1.Cc1cc(Cl)cnc1C(C)C.Cc1ccc(C(C)C)o1.Cc1ccnc(C(C)C)n1.

What is the InChIKey of 1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butylpyrimidine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;ethyl 6-propan-2-ylpyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine?

The InChIKey is NAKADNHLYLCUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C11H15NO2.C11H17NO.C9H9ClF3N.C9H12ClN.2C9H10F3N.C9H13NO.C8H10ClN.C8H9F3N2.2C8H12N2.C8H11NO.C8H12O.C6H9NS/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-4-14-11(13)9-5-6-10(8(2)3)12-7-9;1-8(13)9-5-6-10(12-7-9)11(2,3)4;1-5(2)8-7(10)3-6(4-14-8)9(11,12)13;1-6(2)9-7(3)4-8(10)5-11-9;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-7(2)8-4-5-9(11-3)10-6-8;1-6(2)7-3-4-8(9)10-5-7;1-5(2)7-12-4-3-6(13-7)8(9,10)11;1-8(2,3)7-9-5-4-6-10-7;1-6(2)8-9-5-4-7(3)10-8;1-6(2)7-4-3-5-8(10)9-7;1-6(2)8-5-4-7(3)9-8;1-5(2)6-7-3-4-8-6/h3-9H,1-2H3;5-8H,4H2,1-3H3;5-8,13H,1-4H3;3-5H,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3;4-7H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;2*4-6H,1-3H3;3-6H,1-2H3,(H,9,10);4-6H,1-3H3;3-5H,1-2H3.

What are the key properties of 1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butylpyrimidine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;ethyl 6-propan-2-ylpyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine?

1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butylpyrimidine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;ethyl 6-propan-2-ylpyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine has a molecular weight of 2473.37 g/mol, XLogP of 39.51, 17 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butylpyrimidine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;ethyl 6-propan-2-ylpyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 159724005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).