2-tert-butyl-5-chloropyridine;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;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine);2-propan-2-yl-4-(trifluoromethyl)pyrimidine

C137H180Cl3F15N18O6S — CID 159739834

About 2-tert-butyl-5-chloropyridine;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;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine);2-propan-2-yl-4-(trifluoromethyl)pyrimidine

2-tert-butyl-5-chloropyridine;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;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine);2-propan-2-yl-4-(trifluoromethyl)pyrimidine (PubChem CID 159739834) has the molecular formula C137H180Cl3F15N18O6S and a molecular weight of 2598.46 g/mol. Its IUPAC name is 2-tert-butyl-5-chloropyridine;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;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine);2-propan-2-yl-4-(trifluoromethyl)pyrimidine.

Molecular Properties

• Compound Name: 2-tert-butyl-5-chloropyridine;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;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine);2-propan-2-yl-4-(trifluoromethyl)pyrimidine
• PubChem CID: 159739834
• Molecular Formula: C137H180Cl3F15N18O6S
• Molecular Weight: 2598.46 g/mol
• Exact Mass: 2595.29
• IUPAC Name: 2-tert-butyl-5-chloropyridine;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;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine);2-propan-2-yl-4-(trifluoromethyl)pyrimidine
• SMILES: CC(C)(C)c1ccc(Cl)cn1.CC(C)c1ccc(C(C)O)cn1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(Cl)nc1.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1ccccn1.CC(C)c1ncc(C(F)(F)F)cc1Cl.CC(C)c1nccc(C(F)(F)F)n1.CC(C)c1ncccn1.CC(C)c1nccs1.CCOC(=O)c1ccc(C(C)C)nc1.COc1ccc(C(C)C)cn1.COc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)o1.Cc1ccnc(C(C)C)n1
• InChI: InChI=1S/C11H15NO2.C10H15NO.C9H9ClF3N.C9H12ClN.3C9H10F3N.2C9H13NO.C8H10ClN.C8H9F3N2.C8H12N2.C8H11N.C8H12O.C7H10N2.C6H9NS/c1-4-14-11(13)9-5-6-10(8(2)3)12-7-9;1-7(2)10-5-4-9(6-11-10)8(3)12;1-5(2)8-7(10)3-6(4-14-8)9(11,12)13;1-9(2,3)8-5-4-7(10)6-11-8;2*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)9-5-4-8(11-3)6-10-9;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;1-6(2)8-9-5-4-7(3)10-8;1-7(2)8-5-3-4-6-9-8;1-6(2)8-5-4-7(3)9-8;1-6(2)7-8-4-3-5-9-7;1-5(2)6-7-3-4-8-6/h5-8H,4H2,1-3H3;4-8,12H,1-3H3;3-5H,1-2H3;4-6H,1-3H3;3*3-6H,1-2H3;2*4-7H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;4-6H,1-3H3;3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3-5H,1-2H3
• InChIKey: NCHSLCHCSHZMRX-UHFFFAOYSA-N
• XLogP: 41.82
• TPSA: 310.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2598.46
LogP ≤ 5	41.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

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-chloropyridine;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;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine);2-propan-2-yl-4-(trifluoromethyl)pyrimidine?

The IUPAC name of 2-tert-butyl-5-chloropyridine;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;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine);2-propan-2-yl-4-(trifluoromethyl)pyrimidine (CID 159739834) is 2-tert-butyl-5-chloropyridine;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;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine);2-propan-2-yl-4-(trifluoromethyl)pyrimidine.

What is the SMILES notation for 2-tert-butyl-5-chloropyridine;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;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine);2-propan-2-yl-4-(trifluoromethyl)pyrimidine?

The canonical SMILES for 2-tert-butyl-5-chloropyridine;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;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine);2-propan-2-yl-4-(trifluoromethyl)pyrimidine is CC(C)(C)c1ccc(Cl)cn1.CC(C)c1ccc(C(C)O)cn1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(Cl)nc1.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1ccccn1.CC(C)c1ncc(C(F)(F)F)cc1Cl.CC(C)c1nccc(C(F)(F)F)n1.CC(C)c1ncccn1.CC(C)c1nccs1.CCOC(=O)c1ccc(C(C)C)nc1.COc1ccc(C(C)C)cn1.COc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)o1.Cc1ccnc(C(C)C)n1.

What is the InChIKey of 2-tert-butyl-5-chloropyridine;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;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine);2-propan-2-yl-4-(trifluoromethyl)pyrimidine?

The InChIKey is NCHSLCHCSHZMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.C10H15NO.C9H9ClF3N.C9H12ClN.3C9H10F3N.2C9H13NO.C8H10ClN.C8H9F3N2.C8H12N2.C8H11N.C8H12O.C7H10N2.C6H9NS/c1-4-14-11(13)9-5-6-10(8(2)3)12-7-9;1-7(2)10-5-4-9(6-11-10)8(3)12;1-5(2)8-7(10)3-6(4-14-8)9(11,12)13;1-9(2,3)8-5-4-7(10)6-11-8;2*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)9-5-4-8(11-3)6-10-9;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;1-6(2)8-9-5-4-7(3)10-8;1-7(2)8-5-3-4-6-9-8;1-6(2)8-5-4-7(3)9-8;1-6(2)7-8-4-3-5-9-7;1-5(2)6-7-3-4-8-6/h5-8H,4H2,1-3H3;4-8,12H,1-3H3;3-5H,1-2H3;4-6H,1-3H3;3*3-6H,1-2H3;2*4-7H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;4-6H,1-3H3;3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3-5H,1-2H3.

What are the key properties of 2-tert-butyl-5-chloropyridine;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;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine);2-propan-2-yl-4-(trifluoromethyl)pyrimidine?

2-tert-butyl-5-chloropyridine;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;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine);2-propan-2-yl-4-(trifluoromethyl)pyrimidine has a molecular weight of 2598.46 g/mol, XLogP of 41.82, 20 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-5-chloropyridine;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;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine);2-propan-2-yl-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 159739834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).