2-tert-butyl-6-chloropyridine;6-tert-butyl-N,N-dimethylpyridine-2-carboxamide;2-tert-butyl-6-ethoxypyridine;6-tert-butyl-N-ethylpyridine-2-carboxamide;2-tert-butyl-4-methylpyridine;6-tert-butyl-N-methylpyridine-2-carboxamide;2-tert-butyl-6-phenylpyridine;(6-tert-butyl-2-pyridinyl)methanol;2-[(6-tert-butyl-2-pyridinyl)oxy]ethanol;1-[(6-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol;2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine

C138H198ClF6N15O12 — CID 160958649

IUPAC2-tert-butyl-6-chloropyridine;6-tert-butyl-N,N-dimethylpyridine-2-carboxamide;2-tert-butyl-6-ethoxypyridine;6-tert-butyl-N-ethylpyridine-2-carboxamide;2-tert-butyl-4-methylpyridine;6-tert-butyl-N-methylpyridine-2-carboxamide;2-tert-butyl-6-phenylpyridine;(6-tert-butyl-2-pyridinyl)methanol;2-[(6-tert-butyl-2-pyridinyl)oxy]ethanol;1-[(6-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol;2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine
SMILESCC(C)(C)c1cccc(-c2ccccc2)n1.CC(C)(C)c1cccc(CO)n1.CC(C)(C)c1cccc(Cl)n1.CC(C)(C)c1cccc(OCC(C)(O)C(F)(F)F)n1.CC(C)(C)c1cccc(OCC(F)(F)F)n1.CC(C)(C)c1cccc(OCCO)n1.CC(C)(O)COc1cccc(C(C)(C)C)n1.CCNC(=O)c1cccc(C(C)(C)C)n1.CCOc1cccc(C(C)(C)C)n1.CN(C)C(=O)c1cccc(C(C)(C)C)n1.CNC(=O)c1cccc(C(C)(C)C)n1.Cc1ccnc(C(C)(C)C)c1
InChIInChI=1S/C15H17N.C13H18F3NO2.C13H21NO2.2C12H18N2O.C11H14F3NO.C11H16N2O.C11H17NO2.C11H17NO.C10H15NO.C10H15N.C9H12ClN/c1-15(2,3)14-11-7-10-13(16-14)12-8-5-4-6-9-12;1-11(2,3)9-6-5-7-10(17-9)19-8-12(4,18)13(14,15)16;1-12(2,3)10-7-6-8-11(14-10)16-9-13(4,5)15;1-12(2,3)10-8-6-7-9(13-10)11(15)14(4)5;1-5-13-11(15)9-7-6-8-10(14-9)12(2,3)4;1-10(2,3)8-5-4-6-9(15-8)16-7-11(12,13)14;1-11(2,3)9-7-5-6-8(13-9)10(14)12-4;1-11(2,3)9-5-4-6-10(12-9)14-8-7-13;1-5-13-10-8-6-7-9(12-10)11(2,3)4;1-10(2,3)9-6-4-5-8(7-12)11-9;1-8-5-6-11-9(7-8)10(2,3)4;1-9(2,3)7-5-4-6-8(10)11-7/h4-11H,1-3H3;5-7,18H,8H2,1-4H3;6-8,15H,9H2,1-5H3;6-8H,1-5H3;6-8H,5H2,1-4H3,(H,13,15);4-6H,7H2,1-3H3;5-7H,1-4H3,(H,12,14);4-6,13H,7-8H2,1-3H3;6-8H,5H2,1-4H3;4-6,12H,7H2,1-3H3;5-7H,1-4H3;4-6H,1-3H3
InChIKeySWSOHHJFVBYWHI-UHFFFAOYSA-N
MW2408.64 g/mol
LogP31.03
Rot. Bonds19

About 2-tert-butyl-6-chloropyridine;6-tert-butyl-N,N-dimethylpyridine-2-carboxamide;2-tert-butyl-6-ethoxypyridine;6-tert-butyl-N-ethylpyridine-2-carboxamide;2-tert-butyl-4-methylpyridine;6-tert-butyl-N-methylpyridine-2-carboxamide;2-tert-butyl-6-phenylpyridine;(6-tert-butyl-2-pyridinyl)methanol;2-[(6-tert-butyl-2-pyridinyl)oxy]ethanol;1-[(6-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol;2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine

2-tert-butyl-6-chloropyridine;6-tert-butyl-N,N-dimethylpyridine-2-carboxamide;2-tert-butyl-6-ethoxypyridine;6-tert-butyl-N-ethylpyridine-2-carboxamide;2-tert-butyl-4-methylpyridine;6-tert-butyl-N-methylpyridine-2-carboxamide;2-tert-butyl-6-phenylpyridine;(6-tert-butyl-2-pyridinyl)methanol;2-[(6-tert-butyl-2-pyridinyl)oxy]ethanol;1-[(6-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol;2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 160958649) has the molecular formula C138H198ClF6N15O12 and a molecular weight of 2408.64 g/mol. Its IUPAC name is 2-tert-butyl-6-chloropyridine;6-tert-butyl-N,N-dimethylpyridine-2-carboxamide;2-tert-butyl-6-ethoxypyridine;6-tert-butyl-N-ethylpyridine-2-carboxamide;2-tert-butyl-4-methylpyridine;6-tert-butyl-N-methylpyridine-2-carboxamide;2-tert-butyl-6-phenylpyridine;(6-tert-butyl-2-pyridinyl)methanol;2-[(6-tert-butyl-2-pyridinyl)oxy]ethanol;1-[(6-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol;2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name2-tert-butyl-6-chloropyridine;6-tert-butyl-N,N-dimethylpyridine-2-carboxamide;2-tert-butyl-6-ethoxypyridine;6-tert-butyl-N-ethylpyridine-2-carboxamide;2-tert-butyl-4-methylpyridine;6-tert-butyl-N-methylpyridine-2-carboxamide;2-tert-butyl-6-phenylpyridine;(6-tert-butyl-2-pyridinyl)methanol;2-[(6-tert-butyl-2-pyridinyl)oxy]ethanol;1-[(6-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol;2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine
PubChem CID160958649
Molecular FormulaC138H198ClF6N15O12
Molecular Weight2408.64 g/mol
Exact Mass2406.49
IUPAC Name2-tert-butyl-6-chloropyridine;6-tert-butyl-N,N-dimethylpyridine-2-carboxamide;2-tert-butyl-6-ethoxypyridine;6-tert-butyl-N-ethylpyridine-2-carboxamide;2-tert-butyl-4-methylpyridine;6-tert-butyl-N-methylpyridine-2-carboxamide;2-tert-butyl-6-phenylpyridine;(6-tert-butyl-2-pyridinyl)methanol;2-[(6-tert-butyl-2-pyridinyl)oxy]ethanol;1-[(6-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol;2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine
SMILESCC(C)(C)c1cccc(-c2ccccc2)n1.CC(C)(C)c1cccc(CO)n1.CC(C)(C)c1cccc(Cl)n1.CC(C)(C)c1cccc(OCC(C)(O)C(F)(F)F)n1.CC(C)(C)c1cccc(OCC(F)(F)F)n1.CC(C)(C)c1cccc(OCCO)n1.CC(C)(O)COc1cccc(C(C)(C)C)n1.CCNC(=O)c1cccc(C(C)(C)C)n1.CCOc1cccc(C(C)(C)C)n1.CN(C)C(=O)c1cccc(C(C)(C)C)n1.CNC(=O)c1cccc(C(C)(C)C)n1.Cc1ccnc(C(C)(C)C)c1
InChIInChI=1S/C15H17N.C13H18F3NO2.C13H21NO2.2C12H18N2O.C11H14F3NO.C11H16N2O.C11H17NO2.C11H17NO.C10H15NO.C10H15N.C9H12ClN/c1-15(2,3)14-11-7-10-13(16-14)12-8-5-4-6-9-12;1-11(2,3)9-6-5-7-10(17-9)19-8-12(4,18)13(14,15)16;1-12(2,3)10-7-6-8-11(14-10)16-9-13(4,5)15;1-12(2,3)10-8-6-7-9(13-10)11(15)14(4)5;1-5-13-11(15)9-7-6-8-10(14-9)12(2,3)4;1-10(2,3)8-5-4-6-9(15-8)16-7-11(12,13)14;1-11(2,3)9-7-5-6-8(13-9)10(14)12-4;1-11(2,3)9-5-4-6-10(12-9)14-8-7-13;1-5-13-10-8-6-7-9(12-10)11(2,3)4;1-10(2,3)9-6-4-5-8(7-12)11-9;1-8-5-6-11-9(7-8)10(2,3)4;1-9(2,3)7-5-4-6-8(10)11-7/h4-11H,1-3H3;5-7,18H,8H2,1-4H3;6-8,15H,9H2,1-5H3;6-8H,1-5H3;6-8H,5H2,1-4H3,(H,13,15);4-6H,7H2,1-3H3;5-7H,1-4H3,(H,12,14);4-6,13H,7-8H2,1-3H3;6-8H,5H2,1-4H3;4-6,12H,7H2,1-3H3;5-7H,1-4H3;4-6H,1-3H3
InChIKeySWSOHHJFVBYWHI-UHFFFAOYSA-N
XLogP31.03
TPSA360.26 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002408.64
LogP ≤ 531.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-6-chloropyridine;6-tert-butyl-N,N-dimethylpyridine-2-carboxamide;2-tert-butyl-6-ethoxypyridine;6-tert-butyl-N-ethylpyridine-2-carboxamide;2-tert-butyl-4-methylpyridine;6-tert-butyl-N-methylpyridine-2-carboxamide;2-tert-butyl-6-phenylpyridine;(6-tert-butyl-2-pyridinyl)methanol;2-[(6-tert-butyl-2-pyridinyl)oxy]ethanol;1-[(6-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol;2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloropyridine;6-tert-butyl-N,N-dimethylpyridine-2-carboxamide;2-tert-butyl-6-ethoxypyridine;6-tert-butyl-N-ethylpyridine-2-carboxamide;2-tert-butyl-4-methylpyridine;6-tert-butyl-N-methylpyridine-2-carboxamide;2-tert-butyl-6-phenylpyridine;(6-tert-butyl-2-pyridinyl)methanol;2-[(6-tert-butyl-2-pyridinyl)oxy]ethanol;1-[(6-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol;2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 2-tert-butyl-6-chloropyridine;6-tert-butyl-N,N-dimethylpyridine-2-carboxamide;2-tert-butyl-6-ethoxypyridine;6-tert-butyl-N-ethylpyridine-2-carboxamide;2-tert-butyl-4-methylpyridine;6-tert-butyl-N-methylpyridine-2-carboxamide;2-tert-butyl-6-phenylpyridine;(6-tert-butyl-2-pyridinyl)methanol;2-[(6-tert-butyl-2-pyridinyl)oxy]ethanol;1-[(6-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol;2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine (CID 160958649) is 2-tert-butyl-6-chloropyridine;6-tert-butyl-N,N-dimethylpyridine-2-carboxamide;2-tert-butyl-6-ethoxypyridine;6-tert-butyl-N-ethylpyridine-2-carboxamide;2-tert-butyl-4-methylpyridine;6-tert-butyl-N-methylpyridine-2-carboxamide;2-tert-butyl-6-phenylpyridine;(6-tert-butyl-2-pyridinyl)methanol;2-[(6-tert-butyl-2-pyridinyl)oxy]ethanol;1-[(6-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol;2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 2-tert-butyl-6-chloropyridine;6-tert-butyl-N,N-dimethylpyridine-2-carboxamide;2-tert-butyl-6-ethoxypyridine;6-tert-butyl-N-ethylpyridine-2-carboxamide;2-tert-butyl-4-methylpyridine;6-tert-butyl-N-methylpyridine-2-carboxamide;2-tert-butyl-6-phenylpyridine;(6-tert-butyl-2-pyridinyl)methanol;2-[(6-tert-butyl-2-pyridinyl)oxy]ethanol;1-[(6-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol;2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 2-tert-butyl-6-chloropyridine;6-tert-butyl-N,N-dimethylpyridine-2-carboxamide;2-tert-butyl-6-ethoxypyridine;6-tert-butyl-N-ethylpyridine-2-carboxamide;2-tert-butyl-4-methylpyridine;6-tert-butyl-N-methylpyridine-2-carboxamide;2-tert-butyl-6-phenylpyridine;(6-tert-butyl-2-pyridinyl)methanol;2-[(6-tert-butyl-2-pyridinyl)oxy]ethanol;1-[(6-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol;2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine is CC(C)(C)c1cccc(-c2ccccc2)n1.CC(C)(C)c1cccc(CO)n1.CC(C)(C)c1cccc(Cl)n1.CC(C)(C)c1cccc(OCC(C)(O)C(F)(F)F)n1.CC(C)(C)c1cccc(OCC(F)(F)F)n1.CC(C)(C)c1cccc(OCCO)n1.CC(C)(O)COc1cccc(C(C)(C)C)n1.CCNC(=O)c1cccc(C(C)(C)C)n1.CCOc1cccc(C(C)(C)C)n1.CN(C)C(=O)c1cccc(C(C)(C)C)n1.CNC(=O)c1cccc(C(C)(C)C)n1.Cc1ccnc(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-6-chloropyridine;6-tert-butyl-N,N-dimethylpyridine-2-carboxamide;2-tert-butyl-6-ethoxypyridine;6-tert-butyl-N-ethylpyridine-2-carboxamide;2-tert-butyl-4-methylpyridine;6-tert-butyl-N-methylpyridine-2-carboxamide;2-tert-butyl-6-phenylpyridine;(6-tert-butyl-2-pyridinyl)methanol;2-[(6-tert-butyl-2-pyridinyl)oxy]ethanol;1-[(6-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol;2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is SWSOHHJFVBYWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N.C13H18F3NO2.C13H21NO2.2C12H18N2O.C11H14F3NO.C11H16N2O.C11H17NO2.C11H17NO.C10H15NO.C10H15N.C9H12ClN/c1-15(2,3)14-11-7-10-13(16-14)12-8-5-4-6-9-12;1-11(2,3)9-6-5-7-10(17-9)19-8-12(4,18)13(14,15)16;1-12(2,3)10-7-6-8-11(14-10)16-9-13(4,5)15;1-12(2,3)10-8-6-7-9(13-10)11(15)14(4)5;1-5-13-11(15)9-7-6-8-10(14-9)12(2,3)4;1-10(2,3)8-5-4-6-9(15-8)16-7-11(12,13)14;1-11(2,3)9-7-5-6-8(13-9)10(14)12-4;1-11(2,3)9-5-4-6-10(12-9)14-8-7-13;1-5-13-10-8-6-7-9(12-10)11(2,3)4;1-10(2,3)9-6-4-5-8(7-12)11-9;1-8-5-6-11-9(7-8)10(2,3)4;1-9(2,3)7-5-4-6-8(10)11-7/h4-11H,1-3H3;5-7,18H,8H2,1-4H3;6-8,15H,9H2,1-5H3;6-8H,1-5H3;6-8H,5H2,1-4H3,(H,13,15);4-6H,7H2,1-3H3;5-7H,1-4H3,(H,12,14);4-6,13H,7-8H2,1-3H3;6-8H,5H2,1-4H3;4-6,12H,7H2,1-3H3;5-7H,1-4H3;4-6H,1-3H3.
What are the key properties of 2-tert-butyl-6-chloropyridine;6-tert-butyl-N,N-dimethylpyridine-2-carboxamide;2-tert-butyl-6-ethoxypyridine;6-tert-butyl-N-ethylpyridine-2-carboxamide;2-tert-butyl-4-methylpyridine;6-tert-butyl-N-methylpyridine-2-carboxamide;2-tert-butyl-6-phenylpyridine;(6-tert-butyl-2-pyridinyl)methanol;2-[(6-tert-butyl-2-pyridinyl)oxy]ethanol;1-[(6-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol;2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine?
2-tert-butyl-6-chloropyridine;6-tert-butyl-N,N-dimethylpyridine-2-carboxamide;2-tert-butyl-6-ethoxypyridine;6-tert-butyl-N-ethylpyridine-2-carboxamide;2-tert-butyl-4-methylpyridine;6-tert-butyl-N-methylpyridine-2-carboxamide;2-tert-butyl-6-phenylpyridine;(6-tert-butyl-2-pyridinyl)methanol;2-[(6-tert-butyl-2-pyridinyl)oxy]ethanol;1-[(6-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol;2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 2408.64 g/mol, XLogP of 31.03, 19 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloropyridine;6-tert-butyl-N,N-dimethylpyridine-2-carboxamide;2-tert-butyl-6-ethoxypyridine;6-tert-butyl-N-ethylpyridine-2-carboxamide;2-tert-butyl-4-methylpyridine;6-tert-butyl-N-methylpyridine-2-carboxamide;2-tert-butyl-6-phenylpyridine;(6-tert-butyl-2-pyridinyl)methanol;2-[(6-tert-butyl-2-pyridinyl)oxy]ethanol;1-[(6-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol;2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 160958649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).