5-tert-butyl-2-chloro-3-methylpyridine;5-tert-butyl-2-fluoro-3-(2-fluoropropan-2-yl)pyridine;5-tert-butyl-3-(2-fluoropropan-2-yl)-2-methylpyridine;2-tert-butyl-4-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-methoxypyridine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;methane;5-methoxy-2-propan-2-yl-4-(trifluoromethyl)pyridine;bis(2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine);5-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine

C159H223Cl2F20N15O2 — CID 158442607

IUPAC5-tert-butyl-2-chloro-3-methylpyridine;5-tert-butyl-2-fluoro-3-(2-fluoropropan-2-yl)pyridine;5-tert-butyl-3-(2-fluoropropan-2-yl)-2-methylpyridine;2-tert-butyl-4-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-methoxypyridine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;methane;5-methoxy-2-propan-2-yl-4-(trifluoromethyl)pyridine;bis(2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine);5-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESC.CC(C)(C)c1cc(C(C)(C)F)ccn1.CC(C)(C)c1cnc(F)c(C(C)(C)F)c1.CC(C)(C)c1cncc(C(C)(C)F)c1.CC(C)c1cc(C(F)(F)F)c(Cl)cn1.COc1cnc(C(C)C)cc1C(F)(F)F.COc1cncc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)cnc1Cl.Cc1ccc(C(C)(C)C)cn1.Cc1ccnc(C(C)(C)C)c1.Cc1cnc(C(C)C)cc1C(F)(F)F.Cc1cncc(C(C)(C)C)c1.Cc1ncc(C(C)(C)C)cc1C(C)(C)F.Cc1ncc(C(C)C)cc1C(F)(F)F.Cc1ncc(C(C)C)cc1C(F)(F)F
InChIInChI=1S/C13H20FN.C12H17F2N.2C12H18FN.C10H14ClN.C10H12F3NO.3C10H12F3N.C10H15NO.4C10H15N.C9H9ClF3N.CH4/c1-9-11(13(5,6)14)7-10(8-15-9)12(2,3)4;1-11(2,3)8-6-9(12(4,5)14)10(13)15-7-8;1-11(2,3)9-6-10(8-14-7-9)12(4,5)13;1-11(2,3)10-8-9(6-7-14-10)12(4,5)13;1-7-5-8(10(2,3)4)6-12-9(7)11;1-6(2)8-4-7(10(11,12)13)9(15-3)5-14-8;2*1-6(2)8-4-9(10(11,12)13)7(3)14-5-8;1-6(2)9-4-8(10(11,12)13)7(3)5-14-9;1-10(2,3)8-5-9(12-4)7-11-6-8;1-8-5-9(7-11-6-8)10(2,3)4;1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;1-8-5-6-11-9(7-8)10(2,3)4;1-5(2)8-3-6(9(11,12)13)7(10)4-14-8;/h7-8H,1-6H3;6-7H,1-5H3;2*6-8H,1-5H3;5-6H,1-4H3;4-6H,1-3H3;3*4-6H,1-3H3;5-7H,1-4H3;4*5-7H,1-4H3;3-5H,1-2H3;1H4
InChIKeyHCZPQZXWEDGSJL-UHFFFAOYSA-N
MW2827.50 g/mol
LogP49.60
Rot. Bonds11

About 5-tert-butyl-2-chloro-3-methylpyridine;5-tert-butyl-2-fluoro-3-(2-fluoropropan-2-yl)pyridine;5-tert-butyl-3-(2-fluoropropan-2-yl)-2-methylpyridine;2-tert-butyl-4-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-methoxypyridine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;methane;5-methoxy-2-propan-2-yl-4-(trifluoromethyl)pyridine;bis(2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine);5-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine

5-tert-butyl-2-chloro-3-methylpyridine;5-tert-butyl-2-fluoro-3-(2-fluoropropan-2-yl)pyridine;5-tert-butyl-3-(2-fluoropropan-2-yl)-2-methylpyridine;2-tert-butyl-4-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-methoxypyridine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;methane;5-methoxy-2-propan-2-yl-4-(trifluoromethyl)pyridine;bis(2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine);5-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine (PubChem CID 158442607) has the molecular formula C159H223Cl2F20N15O2 and a molecular weight of 2827.50 g/mol. Its IUPAC name is 5-tert-butyl-2-chloro-3-methylpyridine;5-tert-butyl-2-fluoro-3-(2-fluoropropan-2-yl)pyridine;5-tert-butyl-3-(2-fluoropropan-2-yl)-2-methylpyridine;2-tert-butyl-4-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-methoxypyridine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;methane;5-methoxy-2-propan-2-yl-4-(trifluoromethyl)pyridine;bis(2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine);5-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-tert-butyl-2-chloro-3-methylpyridine;5-tert-butyl-2-fluoro-3-(2-fluoropropan-2-yl)pyridine;5-tert-butyl-3-(2-fluoropropan-2-yl)-2-methylpyridine;2-tert-butyl-4-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-methoxypyridine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;methane;5-methoxy-2-propan-2-yl-4-(trifluoromethyl)pyridine;bis(2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine);5-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine
PubChem CID158442607
Molecular FormulaC159H223Cl2F20N15O2
Molecular Weight2827.50 g/mol
Exact Mass2824.69
IUPAC Name5-tert-butyl-2-chloro-3-methylpyridine;5-tert-butyl-2-fluoro-3-(2-fluoropropan-2-yl)pyridine;5-tert-butyl-3-(2-fluoropropan-2-yl)-2-methylpyridine;2-tert-butyl-4-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-methoxypyridine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;methane;5-methoxy-2-propan-2-yl-4-(trifluoromethyl)pyridine;bis(2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine);5-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESC.CC(C)(C)c1cc(C(C)(C)F)ccn1.CC(C)(C)c1cnc(F)c(C(C)(C)F)c1.CC(C)(C)c1cncc(C(C)(C)F)c1.CC(C)c1cc(C(F)(F)F)c(Cl)cn1.COc1cnc(C(C)C)cc1C(F)(F)F.COc1cncc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)cnc1Cl.Cc1ccc(C(C)(C)C)cn1.Cc1ccnc(C(C)(C)C)c1.Cc1cnc(C(C)C)cc1C(F)(F)F.Cc1cncc(C(C)(C)C)c1.Cc1ncc(C(C)(C)C)cc1C(C)(C)F.Cc1ncc(C(C)C)cc1C(F)(F)F.Cc1ncc(C(C)C)cc1C(F)(F)F
InChIInChI=1S/C13H20FN.C12H17F2N.2C12H18FN.C10H14ClN.C10H12F3NO.3C10H12F3N.C10H15NO.4C10H15N.C9H9ClF3N.CH4/c1-9-11(13(5,6)14)7-10(8-15-9)12(2,3)4;1-11(2,3)8-6-9(12(4,5)14)10(13)15-7-8;1-11(2,3)9-6-10(8-14-7-9)12(4,5)13;1-11(2,3)10-8-9(6-7-14-10)12(4,5)13;1-7-5-8(10(2,3)4)6-12-9(7)11;1-6(2)8-4-7(10(11,12)13)9(15-3)5-14-8;2*1-6(2)8-4-9(10(11,12)13)7(3)14-5-8;1-6(2)9-4-8(10(11,12)13)7(3)5-14-9;1-10(2,3)8-5-9(12-4)7-11-6-8;1-8-5-9(7-11-6-8)10(2,3)4;1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;1-8-5-6-11-9(7-8)10(2,3)4;1-5(2)8-3-6(9(11,12)13)7(10)4-14-8;/h7-8H,1-6H3;6-7H,1-5H3;2*6-8H,1-5H3;5-6H,1-4H3;4-6H,1-3H3;3*4-6H,1-3H3;5-7H,1-4H3;4*5-7H,1-4H3;3-5H,1-2H3;1H4
InChIKeyHCZPQZXWEDGSJL-UHFFFAOYSA-N
XLogP49.60
TPSA211.81 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002827.50
LogP ≤ 549.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 5-tert-butyl-2-chloro-3-methylpyridine;5-tert-butyl-2-fluoro-3-(2-fluoropropan-2-yl)pyridine;5-tert-butyl-3-(2-fluoropropan-2-yl)-2-methylpyridine;2-tert-butyl-4-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-methoxypyridine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;methane;5-methoxy-2-propan-2-yl-4-(trifluoromethyl)pyridine;bis(2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine);5-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-chloro-3-methylpyridine;5-tert-butyl-2-fluoro-3-(2-fluoropropan-2-yl)pyridine;5-tert-butyl-3-(2-fluoropropan-2-yl)-2-methylpyridine;2-tert-butyl-4-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-methoxypyridine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;methane;5-methoxy-2-propan-2-yl-4-(trifluoromethyl)pyridine;bis(2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine);5-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine?
The IUPAC name of 5-tert-butyl-2-chloro-3-methylpyridine;5-tert-butyl-2-fluoro-3-(2-fluoropropan-2-yl)pyridine;5-tert-butyl-3-(2-fluoropropan-2-yl)-2-methylpyridine;2-tert-butyl-4-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-methoxypyridine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;methane;5-methoxy-2-propan-2-yl-4-(trifluoromethyl)pyridine;bis(2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine);5-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine (CID 158442607) is 5-tert-butyl-2-chloro-3-methylpyridine;5-tert-butyl-2-fluoro-3-(2-fluoropropan-2-yl)pyridine;5-tert-butyl-3-(2-fluoropropan-2-yl)-2-methylpyridine;2-tert-butyl-4-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-methoxypyridine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;methane;5-methoxy-2-propan-2-yl-4-(trifluoromethyl)pyridine;bis(2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine);5-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-tert-butyl-2-chloro-3-methylpyridine;5-tert-butyl-2-fluoro-3-(2-fluoropropan-2-yl)pyridine;5-tert-butyl-3-(2-fluoropropan-2-yl)-2-methylpyridine;2-tert-butyl-4-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-methoxypyridine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;methane;5-methoxy-2-propan-2-yl-4-(trifluoromethyl)pyridine;bis(2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine);5-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 5-tert-butyl-2-chloro-3-methylpyridine;5-tert-butyl-2-fluoro-3-(2-fluoropropan-2-yl)pyridine;5-tert-butyl-3-(2-fluoropropan-2-yl)-2-methylpyridine;2-tert-butyl-4-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-methoxypyridine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;methane;5-methoxy-2-propan-2-yl-4-(trifluoromethyl)pyridine;bis(2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine);5-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine is C.CC(C)(C)c1cc(C(C)(C)F)ccn1.CC(C)(C)c1cnc(F)c(C(C)(C)F)c1.CC(C)(C)c1cncc(C(C)(C)F)c1.CC(C)c1cc(C(F)(F)F)c(Cl)cn1.COc1cnc(C(C)C)cc1C(F)(F)F.COc1cncc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)cnc1Cl.Cc1ccc(C(C)(C)C)cn1.Cc1ccnc(C(C)(C)C)c1.Cc1cnc(C(C)C)cc1C(F)(F)F.Cc1cncc(C(C)(C)C)c1.Cc1ncc(C(C)(C)C)cc1C(C)(C)F.Cc1ncc(C(C)C)cc1C(F)(F)F.Cc1ncc(C(C)C)cc1C(F)(F)F.
What is the InChIKey of 5-tert-butyl-2-chloro-3-methylpyridine;5-tert-butyl-2-fluoro-3-(2-fluoropropan-2-yl)pyridine;5-tert-butyl-3-(2-fluoropropan-2-yl)-2-methylpyridine;2-tert-butyl-4-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-methoxypyridine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;methane;5-methoxy-2-propan-2-yl-4-(trifluoromethyl)pyridine;bis(2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine);5-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine?
The InChIKey is HCZPQZXWEDGSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN.C12H17F2N.2C12H18FN.C10H14ClN.C10H12F3NO.3C10H12F3N.C10H15NO.4C10H15N.C9H9ClF3N.CH4/c1-9-11(13(5,6)14)7-10(8-15-9)12(2,3)4;1-11(2,3)8-6-9(12(4,5)14)10(13)15-7-8;1-11(2,3)9-6-10(8-14-7-9)12(4,5)13;1-11(2,3)10-8-9(6-7-14-10)12(4,5)13;1-7-5-8(10(2,3)4)6-12-9(7)11;1-6(2)8-4-7(10(11,12)13)9(15-3)5-14-8;2*1-6(2)8-4-9(10(11,12)13)7(3)14-5-8;1-6(2)9-4-8(10(11,12)13)7(3)5-14-9;1-10(2,3)8-5-9(12-4)7-11-6-8;1-8-5-9(7-11-6-8)10(2,3)4;1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;1-8-5-6-11-9(7-8)10(2,3)4;1-5(2)8-3-6(9(11,12)13)7(10)4-14-8;/h7-8H,1-6H3;6-7H,1-5H3;2*6-8H,1-5H3;5-6H,1-4H3;4-6H,1-3H3;3*4-6H,1-3H3;5-7H,1-4H3;4*5-7H,1-4H3;3-5H,1-2H3;1H4.
What are the key properties of 5-tert-butyl-2-chloro-3-methylpyridine;5-tert-butyl-2-fluoro-3-(2-fluoropropan-2-yl)pyridine;5-tert-butyl-3-(2-fluoropropan-2-yl)-2-methylpyridine;2-tert-butyl-4-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-methoxypyridine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;methane;5-methoxy-2-propan-2-yl-4-(trifluoromethyl)pyridine;bis(2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine);5-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine?
5-tert-butyl-2-chloro-3-methylpyridine;5-tert-butyl-2-fluoro-3-(2-fluoropropan-2-yl)pyridine;5-tert-butyl-3-(2-fluoropropan-2-yl)-2-methylpyridine;2-tert-butyl-4-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-methoxypyridine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;methane;5-methoxy-2-propan-2-yl-4-(trifluoromethyl)pyridine;bis(2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine);5-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine has a molecular weight of 2827.50 g/mol, XLogP of 49.60, 11 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-chloro-3-methylpyridine;5-tert-butyl-2-fluoro-3-(2-fluoropropan-2-yl)pyridine;5-tert-butyl-3-(2-fluoropropan-2-yl)-2-methylpyridine;2-tert-butyl-4-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-methoxypyridine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;methane;5-methoxy-2-propan-2-yl-4-(trifluoromethyl)pyridine;bis(2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine);5-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 158442607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).