2-tert-butyl-5-chloropyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butylsulfanyl-6-propan-2-ylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-6-propan-2-ylpyridine;3,5-dichloro-2-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethoxy-6-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-propan-2-ylpyridine

C144H198Cl3F15N14O2S — CID 162217335

IUPAC2-tert-butyl-5-chloropyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butylsulfanyl-6-propan-2-ylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-6-propan-2-ylpyridine;3,5-dichloro-2-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethoxy-6-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-propan-2-ylpyridine
SMILESCC(C)(C)c1cc(C(F)(F)F)ccn1.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(Cl)cn1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)Cc1cccc(C(C)C)n1.CC(C)c1cccc(C(C)(C)C)n1.CC(C)c1cccc(C2CC2)n1.CC(C)c1cccc(SC(C)(C)C)n1.CC(C)c1ncc(Cl)cc1Cl.CCOc1cccc(C(C)C)n1.COc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(C)n1.Cc1nc(C(F)(F)F)ccc1C(C)C
InChIInChI=1S/C12H19NS.2C12H19N.C11H15N.5C10H12F3N.2C10H15NO.C10H15N.C9H12ClN.C8H9Cl2N/c1-9(2)10-7-6-8-11(13-10)14-12(3,4)5;1-9(2)10-7-6-8-11(13-10)12(3,4)5;1-9(2)8-11-6-5-7-12(13-11)10(3)4;1-8(2)10-4-3-5-11(12-10)9-6-7-9;1-9(2,3)8-6-7(4-5-14-8)10(11,12)13;1-9(2,3)8-5-4-7(6-14-8)10(11,12)13;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-6(2)8-4-5-9(10(11,12)13)14-7(8)3;1-7(2)9-5-6-10(12-4)11-8(9)3;1-4-12-10-7-5-6-9(11-10)8(2)3;1-7(2)10-6-5-8(3)11-9(10)4;1-9(2,3)8-5-4-7(10)6-11-8;1-5(2)8-7(10)3-6(9)4-11-8/h6-9H,1-5H3;6-9H,1-5H3;5-7,9-10H,8H2,1-4H3;3-5,8-9H,6-7H2,1-2H3;5*4-6H,1-3H3;5-7H,1-4H3;5-8H,4H2,1-3H3;5-7H,1-4H3;4-6H,1-3H3;3-5H,1-2H3
InChIKeyZTQNWJZQPBAMAU-UHFFFAOYSA-N
MW2580.66 g/mol
LogP45.70
Rot. Bonds16

About 2-tert-butyl-5-chloropyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butylsulfanyl-6-propan-2-ylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-6-propan-2-ylpyridine;3,5-dichloro-2-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethoxy-6-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-propan-2-ylpyridine

2-tert-butyl-5-chloropyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butylsulfanyl-6-propan-2-ylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-6-propan-2-ylpyridine;3,5-dichloro-2-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethoxy-6-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-propan-2-ylpyridine (PubChem CID 162217335) has the molecular formula C144H198Cl3F15N14O2S and a molecular weight of 2580.66 g/mol. Its IUPAC name is 2-tert-butyl-5-chloropyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butylsulfanyl-6-propan-2-ylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-6-propan-2-ylpyridine;3,5-dichloro-2-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethoxy-6-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-propan-2-ylpyridine.

Molecular Properties

Compound Name2-tert-butyl-5-chloropyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butylsulfanyl-6-propan-2-ylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-6-propan-2-ylpyridine;3,5-dichloro-2-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethoxy-6-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-propan-2-ylpyridine
PubChem CID162217335
Molecular FormulaC144H198Cl3F15N14O2S
Molecular Weight2580.66 g/mol
Exact Mass2577.44
IUPAC Name2-tert-butyl-5-chloropyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butylsulfanyl-6-propan-2-ylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-6-propan-2-ylpyridine;3,5-dichloro-2-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethoxy-6-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-propan-2-ylpyridine
SMILESCC(C)(C)c1cc(C(F)(F)F)ccn1.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(Cl)cn1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)Cc1cccc(C(C)C)n1.CC(C)c1cccc(C(C)(C)C)n1.CC(C)c1cccc(C2CC2)n1.CC(C)c1cccc(SC(C)(C)C)n1.CC(C)c1ncc(Cl)cc1Cl.CCOc1cccc(C(C)C)n1.COc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(C)n1.Cc1nc(C(F)(F)F)ccc1C(C)C
InChIInChI=1S/C12H19NS.2C12H19N.C11H15N.5C10H12F3N.2C10H15NO.C10H15N.C9H12ClN.C8H9Cl2N/c1-9(2)10-7-6-8-11(13-10)14-12(3,4)5;1-9(2)10-7-6-8-11(13-10)12(3,4)5;1-9(2)8-11-6-5-7-12(13-11)10(3)4;1-8(2)10-4-3-5-11(12-10)9-6-7-9;1-9(2,3)8-6-7(4-5-14-8)10(11,12)13;1-9(2,3)8-5-4-7(6-14-8)10(11,12)13;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-6(2)8-4-5-9(10(11,12)13)14-7(8)3;1-7(2)9-5-6-10(12-4)11-8(9)3;1-4-12-10-7-5-6-9(11-10)8(2)3;1-7(2)10-6-5-8(3)11-9(10)4;1-9(2,3)8-5-4-7(10)6-11-8;1-5(2)8-7(10)3-6(9)4-11-8/h6-9H,1-5H3;6-9H,1-5H3;5-7,9-10H,8H2,1-4H3;3-5,8-9H,6-7H2,1-2H3;5*4-6H,1-3H3;5-7H,1-4H3;5-8H,4H2,1-3H3;5-7H,1-4H3;4-6H,1-3H3;3-5H,1-2H3
InChIKeyZTQNWJZQPBAMAU-UHFFFAOYSA-N
XLogP45.70
TPSA198.92 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002580.66
LogP ≤ 545.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2-tert-butyl-5-chloropyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butylsulfanyl-6-propan-2-ylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-6-propan-2-ylpyridine;3,5-dichloro-2-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethoxy-6-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-propan-2-ylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-chloropyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butylsulfanyl-6-propan-2-ylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-6-propan-2-ylpyridine;3,5-dichloro-2-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethoxy-6-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-propan-2-ylpyridine?
The IUPAC name of 2-tert-butyl-5-chloropyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butylsulfanyl-6-propan-2-ylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-6-propan-2-ylpyridine;3,5-dichloro-2-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethoxy-6-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-propan-2-ylpyridine (CID 162217335) is 2-tert-butyl-5-chloropyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butylsulfanyl-6-propan-2-ylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-6-propan-2-ylpyridine;3,5-dichloro-2-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethoxy-6-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-propan-2-ylpyridine.
What is the SMILES notation for 2-tert-butyl-5-chloropyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butylsulfanyl-6-propan-2-ylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-6-propan-2-ylpyridine;3,5-dichloro-2-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethoxy-6-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-propan-2-ylpyridine?
The canonical SMILES for 2-tert-butyl-5-chloropyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butylsulfanyl-6-propan-2-ylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-6-propan-2-ylpyridine;3,5-dichloro-2-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethoxy-6-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-propan-2-ylpyridine is CC(C)(C)c1cc(C(F)(F)F)ccn1.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(Cl)cn1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)Cc1cccc(C(C)C)n1.CC(C)c1cccc(C(C)(C)C)n1.CC(C)c1cccc(C2CC2)n1.CC(C)c1cccc(SC(C)(C)C)n1.CC(C)c1ncc(Cl)cc1Cl.CCOc1cccc(C(C)C)n1.COc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(C)n1.Cc1nc(C(F)(F)F)ccc1C(C)C.
What is the InChIKey of 2-tert-butyl-5-chloropyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butylsulfanyl-6-propan-2-ylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-6-propan-2-ylpyridine;3,5-dichloro-2-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethoxy-6-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-propan-2-ylpyridine?
The InChIKey is ZTQNWJZQPBAMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS.2C12H19N.C11H15N.5C10H12F3N.2C10H15NO.C10H15N.C9H12ClN.C8H9Cl2N/c1-9(2)10-7-6-8-11(13-10)14-12(3,4)5;1-9(2)10-7-6-8-11(13-10)12(3,4)5;1-9(2)8-11-6-5-7-12(13-11)10(3)4;1-8(2)10-4-3-5-11(12-10)9-6-7-9;1-9(2,3)8-6-7(4-5-14-8)10(11,12)13;1-9(2,3)8-5-4-7(6-14-8)10(11,12)13;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-6(2)8-4-5-9(10(11,12)13)14-7(8)3;1-7(2)9-5-6-10(12-4)11-8(9)3;1-4-12-10-7-5-6-9(11-10)8(2)3;1-7(2)10-6-5-8(3)11-9(10)4;1-9(2,3)8-5-4-7(10)6-11-8;1-5(2)8-7(10)3-6(9)4-11-8/h6-9H,1-5H3;6-9H,1-5H3;5-7,9-10H,8H2,1-4H3;3-5,8-9H,6-7H2,1-2H3;5*4-6H,1-3H3;5-7H,1-4H3;5-8H,4H2,1-3H3;5-7H,1-4H3;4-6H,1-3H3;3-5H,1-2H3.
What are the key properties of 2-tert-butyl-5-chloropyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butylsulfanyl-6-propan-2-ylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-6-propan-2-ylpyridine;3,5-dichloro-2-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethoxy-6-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-propan-2-ylpyridine?
2-tert-butyl-5-chloropyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butylsulfanyl-6-propan-2-ylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-6-propan-2-ylpyridine;3,5-dichloro-2-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethoxy-6-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-propan-2-ylpyridine has a molecular weight of 2580.66 g/mol, XLogP of 45.70, 16 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-chloropyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butylsulfanyl-6-propan-2-ylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-6-propan-2-ylpyridine;3,5-dichloro-2-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethoxy-6-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-propan-2-ylpyridine is sourced from PubChem (CID 162217335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).