azetidin-1-yl-(6-tert-butyl-2-pyridinyl)methanone;2-tert-butyl-6-(difluoromethoxy)pyridine;6-tert-butyl-N,N-dimethylpyridin-2-amine;2-tert-butyl-6-isocyanopyridine;2-tert-butyl-6-(2-methoxyethoxy)pyridine;2-tert-butyl-6-methoxy-4-methylpyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;6-tert-butyl-N-methylpyridin-2-amine;2-tert-butyl-1-oxido-6-phenylpyridin-1-ium;(6-tert-butyl-3-pyridinyl)methanol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol

C135H193F5N16O11 — CID 162124106

IUPACazetidin-1-yl-(6-tert-butyl-2-pyridinyl)methanone;2-tert-butyl-6-(difluoromethoxy)pyridine;6-tert-butyl-N,N-dimethylpyridin-2-amine;2-tert-butyl-6-isocyanopyridine;2-tert-butyl-6-(2-methoxyethoxy)pyridine;2-tert-butyl-6-methoxy-4-methylpyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;6-tert-butyl-N-methylpyridin-2-amine;2-tert-butyl-1-oxido-6-phenylpyridin-1-ium;(6-tert-butyl-3-pyridinyl)methanol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCC(C)(C)c1ccc(CO)cn1.CC(C)(C)c1cccc(-c2ccccc2)[n+]1[O-].CC(C)(C)c1cccc(C(=O)N2CCC2)n1.CC(C)(C)c1cccc(OC(F)F)n1.CC(C)(C)c1cccc(OCC(C)(O)C(F)(F)F)n1.CN(C)c1cccc(C(C)(C)C)n1.CNc1cccc(C(C)(C)C)n1.COCCOc1cccc(C(C)(C)C)n1.COc1cc(C)cc(C(C)(C)C)n1.COc1cccnc1C(C)(C)C.COc1ccnc(C(C)(C)C)c1.[C-]#[N+]c1cccc(C(C)(C)C)n1
InChIInChI=1S/C15H17NO.C13H18F3NO2.C13H18N2O.C12H19NO2.C11H18N2.C11H17NO.C10H13F2NO.C10H16N2.C10H12N2.3C10H15NO/c1-15(2,3)14-11-7-10-13(16(14)17)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;1-13(2,3)11-7-4-6-10(14-11)12(16)15-8-5-9-15;1-12(2,3)10-6-5-7-11(13-10)15-9-8-14-4;1-11(2,3)9-7-6-8-10(12-9)13(4)5;1-8-6-9(11(2,3)4)12-10(7-8)13-5;1-10(2,3)7-5-4-6-8(13-7)14-9(11)12;2*1-10(2,3)8-6-5-7-9(11-4)12-8;1-10(2,3)9-7-8(12-4)5-6-11-9;1-10(2,3)9-8(12-4)6-5-7-11-9;1-10(2,3)9-5-4-8(7-12)6-11-9/h4-11H,1-3H3;5-7,18H,8H2,1-4H3;4,6-7H,5,8-9H2,1-3H3;5-7H,8-9H2,1-4H3;6-8H,1-5H3;6-7H,1-5H3;4-6,9H,1-3H3;5-7H,1-4H3,(H,11,12);5-7H,1-3H3;2*5-7H,1-4H3;4-6,12H,7H2,1-3H3
InChIKeyZHUKYAZLDBBLLO-UHFFFAOYSA-N
MW2311.12 g/mol
LogP31.10
Rot. Bonds17

About azetidin-1-yl-(6-tert-butyl-2-pyridinyl)methanone;2-tert-butyl-6-(difluoromethoxy)pyridine;6-tert-butyl-N,N-dimethylpyridin-2-amine;2-tert-butyl-6-isocyanopyridine;2-tert-butyl-6-(2-methoxyethoxy)pyridine;2-tert-butyl-6-methoxy-4-methylpyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;6-tert-butyl-N-methylpyridin-2-amine;2-tert-butyl-1-oxido-6-phenylpyridin-1-ium;(6-tert-butyl-3-pyridinyl)methanol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol

azetidin-1-yl-(6-tert-butyl-2-pyridinyl)methanone;2-tert-butyl-6-(difluoromethoxy)pyridine;6-tert-butyl-N,N-dimethylpyridin-2-amine;2-tert-butyl-6-isocyanopyridine;2-tert-butyl-6-(2-methoxyethoxy)pyridine;2-tert-butyl-6-methoxy-4-methylpyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;6-tert-butyl-N-methylpyridin-2-amine;2-tert-butyl-1-oxido-6-phenylpyridin-1-ium;(6-tert-butyl-3-pyridinyl)methanol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol (PubChem CID 162124106) has the molecular formula C135H193F5N16O11 and a molecular weight of 2311.12 g/mol. Its IUPAC name is azetidin-1-yl-(6-tert-butyl-2-pyridinyl)methanone;2-tert-butyl-6-(difluoromethoxy)pyridine;6-tert-butyl-N,N-dimethylpyridin-2-amine;2-tert-butyl-6-isocyanopyridine;2-tert-butyl-6-(2-methoxyethoxy)pyridine;2-tert-butyl-6-methoxy-4-methylpyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;6-tert-butyl-N-methylpyridin-2-amine;2-tert-butyl-1-oxido-6-phenylpyridin-1-ium;(6-tert-butyl-3-pyridinyl)methanol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Nameazetidin-1-yl-(6-tert-butyl-2-pyridinyl)methanone;2-tert-butyl-6-(difluoromethoxy)pyridine;6-tert-butyl-N,N-dimethylpyridin-2-amine;2-tert-butyl-6-isocyanopyridine;2-tert-butyl-6-(2-methoxyethoxy)pyridine;2-tert-butyl-6-methoxy-4-methylpyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;6-tert-butyl-N-methylpyridin-2-amine;2-tert-butyl-1-oxido-6-phenylpyridin-1-ium;(6-tert-butyl-3-pyridinyl)methanol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol
PubChem CID162124106
Molecular FormulaC135H193F5N16O11
Molecular Weight2311.12 g/mol
Exact Mass2309.50
IUPAC Nameazetidin-1-yl-(6-tert-butyl-2-pyridinyl)methanone;2-tert-butyl-6-(difluoromethoxy)pyridine;6-tert-butyl-N,N-dimethylpyridin-2-amine;2-tert-butyl-6-isocyanopyridine;2-tert-butyl-6-(2-methoxyethoxy)pyridine;2-tert-butyl-6-methoxy-4-methylpyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;6-tert-butyl-N-methylpyridin-2-amine;2-tert-butyl-1-oxido-6-phenylpyridin-1-ium;(6-tert-butyl-3-pyridinyl)methanol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCC(C)(C)c1ccc(CO)cn1.CC(C)(C)c1cccc(-c2ccccc2)[n+]1[O-].CC(C)(C)c1cccc(C(=O)N2CCC2)n1.CC(C)(C)c1cccc(OC(F)F)n1.CC(C)(C)c1cccc(OCC(C)(O)C(F)(F)F)n1.CN(C)c1cccc(C(C)(C)C)n1.CNc1cccc(C(C)(C)C)n1.COCCOc1cccc(C(C)(C)C)n1.COc1cc(C)cc(C(C)(C)C)n1.COc1cccnc1C(C)(C)C.COc1ccnc(C(C)(C)C)c1.[C-]#[N+]c1cccc(C(C)(C)C)n1
InChIInChI=1S/C15H17NO.C13H18F3NO2.C13H18N2O.C12H19NO2.C11H18N2.C11H17NO.C10H13F2NO.C10H16N2.C10H12N2.3C10H15NO/c1-15(2,3)14-11-7-10-13(16(14)17)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;1-13(2,3)11-7-4-6-10(14-11)12(16)15-8-5-9-15;1-12(2,3)10-6-5-7-11(13-10)15-9-8-14-4;1-11(2,3)9-7-6-8-10(12-9)13(4)5;1-8-6-9(11(2,3)4)12-10(7-8)13-5;1-10(2,3)7-5-4-6-8(13-7)14-9(11)12;2*1-10(2,3)8-6-5-7-9(11-4)12-8;1-10(2,3)9-7-8(12-4)5-6-11-9;1-10(2,3)9-8(12-4)6-5-7-11-9;1-10(2,3)9-5-4-8(7-12)6-11-9/h4-11H,1-3H3;5-7,18H,8H2,1-4H3;4,6-7H,5,8-9H2,1-3H3;5-7H,8-9H2,1-4H3;6-8H,1-5H3;6-7H,1-5H3;4-6,9H,1-3H3;5-7H,1-4H3,(H,11,12);5-7H,1-3H3;2*5-7H,1-4H3;4-6,12H,7H2,1-3H3
InChIKeyZHUKYAZLDBBLLO-UHFFFAOYSA-N
XLogP31.10
TPSA313.74 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds17
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002311.12
LogP ≤ 531.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze azetidin-1-yl-(6-tert-butyl-2-pyridinyl)methanone;2-tert-butyl-6-(difluoromethoxy)pyridine;6-tert-butyl-N,N-dimethylpyridin-2-amine;2-tert-butyl-6-isocyanopyridine;2-tert-butyl-6-(2-methoxyethoxy)pyridine;2-tert-butyl-6-methoxy-4-methylpyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;6-tert-butyl-N-methylpyridin-2-amine;2-tert-butyl-1-oxido-6-phenylpyridin-1-ium;(6-tert-butyl-3-pyridinyl)methanol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(6-tert-butyl-2-pyridinyl)methanone;2-tert-butyl-6-(difluoromethoxy)pyridine;6-tert-butyl-N,N-dimethylpyridin-2-amine;2-tert-butyl-6-isocyanopyridine;2-tert-butyl-6-(2-methoxyethoxy)pyridine;2-tert-butyl-6-methoxy-4-methylpyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;6-tert-butyl-N-methylpyridin-2-amine;2-tert-butyl-1-oxido-6-phenylpyridin-1-ium;(6-tert-butyl-3-pyridinyl)methanol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol?
The IUPAC name of azetidin-1-yl-(6-tert-butyl-2-pyridinyl)methanone;2-tert-butyl-6-(difluoromethoxy)pyridine;6-tert-butyl-N,N-dimethylpyridin-2-amine;2-tert-butyl-6-isocyanopyridine;2-tert-butyl-6-(2-methoxyethoxy)pyridine;2-tert-butyl-6-methoxy-4-methylpyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;6-tert-butyl-N-methylpyridin-2-amine;2-tert-butyl-1-oxido-6-phenylpyridin-1-ium;(6-tert-butyl-3-pyridinyl)methanol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol (CID 162124106) is azetidin-1-yl-(6-tert-butyl-2-pyridinyl)methanone;2-tert-butyl-6-(difluoromethoxy)pyridine;6-tert-butyl-N,N-dimethylpyridin-2-amine;2-tert-butyl-6-isocyanopyridine;2-tert-butyl-6-(2-methoxyethoxy)pyridine;2-tert-butyl-6-methoxy-4-methylpyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;6-tert-butyl-N-methylpyridin-2-amine;2-tert-butyl-1-oxido-6-phenylpyridin-1-ium;(6-tert-butyl-3-pyridinyl)methanol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol.
What is the SMILES notation for azetidin-1-yl-(6-tert-butyl-2-pyridinyl)methanone;2-tert-butyl-6-(difluoromethoxy)pyridine;6-tert-butyl-N,N-dimethylpyridin-2-amine;2-tert-butyl-6-isocyanopyridine;2-tert-butyl-6-(2-methoxyethoxy)pyridine;2-tert-butyl-6-methoxy-4-methylpyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;6-tert-butyl-N-methylpyridin-2-amine;2-tert-butyl-1-oxido-6-phenylpyridin-1-ium;(6-tert-butyl-3-pyridinyl)methanol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol?
The canonical SMILES for azetidin-1-yl-(6-tert-butyl-2-pyridinyl)methanone;2-tert-butyl-6-(difluoromethoxy)pyridine;6-tert-butyl-N,N-dimethylpyridin-2-amine;2-tert-butyl-6-isocyanopyridine;2-tert-butyl-6-(2-methoxyethoxy)pyridine;2-tert-butyl-6-methoxy-4-methylpyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;6-tert-butyl-N-methylpyridin-2-amine;2-tert-butyl-1-oxido-6-phenylpyridin-1-ium;(6-tert-butyl-3-pyridinyl)methanol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol is CC(C)(C)c1ccc(CO)cn1.CC(C)(C)c1cccc(-c2ccccc2)[n+]1[O-].CC(C)(C)c1cccc(C(=O)N2CCC2)n1.CC(C)(C)c1cccc(OC(F)F)n1.CC(C)(C)c1cccc(OCC(C)(O)C(F)(F)F)n1.CN(C)c1cccc(C(C)(C)C)n1.CNc1cccc(C(C)(C)C)n1.COCCOc1cccc(C(C)(C)C)n1.COc1cc(C)cc(C(C)(C)C)n1.COc1cccnc1C(C)(C)C.COc1ccnc(C(C)(C)C)c1.[C-]#[N+]c1cccc(C(C)(C)C)n1.
What is the InChIKey of azetidin-1-yl-(6-tert-butyl-2-pyridinyl)methanone;2-tert-butyl-6-(difluoromethoxy)pyridine;6-tert-butyl-N,N-dimethylpyridin-2-amine;2-tert-butyl-6-isocyanopyridine;2-tert-butyl-6-(2-methoxyethoxy)pyridine;2-tert-butyl-6-methoxy-4-methylpyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;6-tert-butyl-N-methylpyridin-2-amine;2-tert-butyl-1-oxido-6-phenylpyridin-1-ium;(6-tert-butyl-3-pyridinyl)methanol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol?
The InChIKey is ZHUKYAZLDBBLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.C13H18F3NO2.C13H18N2O.C12H19NO2.C11H18N2.C11H17NO.C10H13F2NO.C10H16N2.C10H12N2.3C10H15NO/c1-15(2,3)14-11-7-10-13(16(14)17)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;1-13(2,3)11-7-4-6-10(14-11)12(16)15-8-5-9-15;1-12(2,3)10-6-5-7-11(13-10)15-9-8-14-4;1-11(2,3)9-7-6-8-10(12-9)13(4)5;1-8-6-9(11(2,3)4)12-10(7-8)13-5;1-10(2,3)7-5-4-6-8(13-7)14-9(11)12;2*1-10(2,3)8-6-5-7-9(11-4)12-8;1-10(2,3)9-7-8(12-4)5-6-11-9;1-10(2,3)9-8(12-4)6-5-7-11-9;1-10(2,3)9-5-4-8(7-12)6-11-9/h4-11H,1-3H3;5-7,18H,8H2,1-4H3;4,6-7H,5,8-9H2,1-3H3;5-7H,8-9H2,1-4H3;6-8H,1-5H3;6-7H,1-5H3;4-6,9H,1-3H3;5-7H,1-4H3,(H,11,12);5-7H,1-3H3;2*5-7H,1-4H3;4-6,12H,7H2,1-3H3.
What are the key properties of azetidin-1-yl-(6-tert-butyl-2-pyridinyl)methanone;2-tert-butyl-6-(difluoromethoxy)pyridine;6-tert-butyl-N,N-dimethylpyridin-2-amine;2-tert-butyl-6-isocyanopyridine;2-tert-butyl-6-(2-methoxyethoxy)pyridine;2-tert-butyl-6-methoxy-4-methylpyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;6-tert-butyl-N-methylpyridin-2-amine;2-tert-butyl-1-oxido-6-phenylpyridin-1-ium;(6-tert-butyl-3-pyridinyl)methanol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol?
azetidin-1-yl-(6-tert-butyl-2-pyridinyl)methanone;2-tert-butyl-6-(difluoromethoxy)pyridine;6-tert-butyl-N,N-dimethylpyridin-2-amine;2-tert-butyl-6-isocyanopyridine;2-tert-butyl-6-(2-methoxyethoxy)pyridine;2-tert-butyl-6-methoxy-4-methylpyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;6-tert-butyl-N-methylpyridin-2-amine;2-tert-butyl-1-oxido-6-phenylpyridin-1-ium;(6-tert-butyl-3-pyridinyl)methanol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol has a molecular weight of 2311.12 g/mol, XLogP of 31.10, 17 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(6-tert-butyl-2-pyridinyl)methanone;2-tert-butyl-6-(difluoromethoxy)pyridine;6-tert-butyl-N,N-dimethylpyridin-2-amine;2-tert-butyl-6-isocyanopyridine;2-tert-butyl-6-(2-methoxyethoxy)pyridine;2-tert-butyl-6-methoxy-4-methylpyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;6-tert-butyl-N-methylpyridin-2-amine;2-tert-butyl-1-oxido-6-phenylpyridin-1-ium;(6-tert-butyl-3-pyridinyl)methanol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol is sourced from PubChem (CID 162124106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).