2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridin-3-ol;1-(6-tert-butyl-3-pyridinyl)ethanone

C124H184N12O8S — CID 159978773

IUPAC2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridin-3-ol;1-(6-tert-butyl-3-pyridinyl)ethanone
SMILESCC(=O)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(CS(C)(=O)=O)cn1.CC(C)(C)c1ccc(O)cn1.CCOc1ccc(C(C)(C)C)nc1.CNC(=O)c1ccc(C(C)(C)C)nc1.COc1ccc(C(C)(C)C)cn1.COc1ccccc1C(C)(C)C.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1
InChIInChI=1S/C11H16N2O.C11H17NO2S.C11H15NO.C11H17NO.C11H16O.C10H15NO.5C10H15N.C9H13NO/c1-11(2,3)9-6-5-8(7-13-9)10(14)12-4;1-11(2,3)10-6-5-9(7-12-10)8-15(4,13)14;1-8(13)9-5-6-10(12-7-9)11(2,3)4;1-5-13-9-6-7-10(12-8-9)11(2,3)4;1-11(2,3)9-7-5-6-8-10(9)12-4;1-10(2,3)8-5-6-9(12-4)11-7-8;3*1-8-5-6-9(11-7-8)10(2,3)4;2*1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)8-5-4-7(11)6-10-8/h5-7H,1-4H3,(H,12,14);5-7H,8H2,1-4H3;5-7H,1-4H3;6-8H,5H2,1-4H3;5-8H,1-4H3;5-7H,1-4H3;5*5-7H,1-4H3;4-6,11H,1-3H3
InChIKeyOFMNDUDWESTLAZ-UHFFFAOYSA-N
MW2002.98 g/mol
LogP29.92
Rot. Bonds8

About 2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridin-3-ol;1-(6-tert-butyl-3-pyridinyl)ethanone

2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridin-3-ol;1-(6-tert-butyl-3-pyridinyl)ethanone (PubChem CID 159978773) has the molecular formula C124H184N12O8S and a molecular weight of 2002.98 g/mol. Its IUPAC name is 2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridin-3-ol;1-(6-tert-butyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridin-3-ol;1-(6-tert-butyl-3-pyridinyl)ethanone
PubChem CID159978773
Molecular FormulaC124H184N12O8S
Molecular Weight2002.98 g/mol
Exact Mass2001.41
IUPAC Name2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridin-3-ol;1-(6-tert-butyl-3-pyridinyl)ethanone
SMILESCC(=O)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(CS(C)(=O)=O)cn1.CC(C)(C)c1ccc(O)cn1.CCOc1ccc(C(C)(C)C)nc1.CNC(=O)c1ccc(C(C)(C)C)nc1.COc1ccc(C(C)(C)C)cn1.COc1ccccc1C(C)(C)C.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1
InChIInChI=1S/C11H16N2O.C11H17NO2S.C11H15NO.C11H17NO.C11H16O.C10H15NO.5C10H15N.C9H13NO/c1-11(2,3)9-6-5-8(7-13-9)10(14)12-4;1-11(2,3)10-6-5-9(7-12-10)8-15(4,13)14;1-8(13)9-5-6-10(12-7-9)11(2,3)4;1-5-13-9-6-7-10(12-8-9)11(2,3)4;1-11(2,3)9-7-5-6-8-10(9)12-4;1-10(2,3)8-5-6-9(12-4)11-7-8;3*1-8-5-6-9(11-7-8)10(2,3)4;2*1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)8-5-4-7(11)6-10-8/h5-7H,1-4H3,(H,12,14);5-7H,8H2,1-4H3;5-7H,1-4H3;6-8H,5H2,1-4H3;5-8H,1-4H3;5-7H,1-4H3;5*5-7H,1-4H3;4-6,11H,1-3H3
InChIKeyOFMNDUDWESTLAZ-UHFFFAOYSA-N
XLogP29.92
TPSA270.02 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds8
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002002.98
LogP ≤ 529.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze 2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridin-3-ol;1-(6-tert-butyl-3-pyridinyl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

N-[1-[4-[5-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]-3-pyridinyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide
CID 123768617
N-[(1R)-1-[4-[5-[[5-[[(1R)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]methoxy]-3-pyridinyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide
CID 144288067
2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;tetrakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylphenol;3-tert-butylphenol;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;1-(6-tert-butyl-3-pyridinyl)ethanone
CID 157108007
N-(3-hydroxypropyl)pyridine-3-carboxamide;4-hydroxy-1-pyridin-3-ylbutan-1-one;2-(4-pyridin-3-yloxyphenyl)ethanamine;3-pyridin-2-yloxypropan-1-amine;3-pyridin-3-yloxypropan-1-amine;3-pyridin-2-ylpropanoic acid;3-pyridin-3-ylpropanoic acid;3-pyridin-4-ylpropanoic acid
CID 159092719
2-Butoxy-5-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;2-(2,2-difluoroethoxy)-5-propan-2-ylpyridine;3-(difluoromethoxy)-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;bis(2-ethoxy-5-propan-2-ylpyridine);bis(3-ethoxy-5-propan-2-ylpyridine);2-ethyl-3-methoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;3-ethyl-5-propan-2-ylpyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-(3-fluoro-5-propan-2-yl-2-pyridinyl)propan-2-ol;methane;3-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;methyl 5-propan-2-ylpyridine-3-carboxylate;methyl 2-(5-propan-2-yl-3-pyridinyl)acetate;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-propoxypyridine;5-propan-2-yl-2-propoxypyridine;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol
CID 159124758
2-tert-butyl-5-ethoxypyridine;2-tert-butyl-5-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridine-2-carboxylic acid;6-tert-butylpyridine-3-carboxylic acid;5-tert-butylpyridin-3-ol;6-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;3-tert-butyl-1H-pyridin-2-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone;methyl 6-tert-butylpyridine-3-carboxylate
CID 159183229
5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;hexakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid
CID 159947482
6-[[4-(Dimethoxymethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxylic acid;1-[6-[[4-(dimethoxymethyl)-3-pyridinyl]oxymethyl]-3-pyridinyl]-2-methylsulfonylethanone;methanesulfonamide
CID 160123157
3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridin-3-ol
CID 160689576

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridin-3-ol;1-(6-tert-butyl-3-pyridinyl)ethanone?
The IUPAC name of 2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridin-3-ol;1-(6-tert-butyl-3-pyridinyl)ethanone (CID 159978773) is 2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridin-3-ol;1-(6-tert-butyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridin-3-ol;1-(6-tert-butyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridin-3-ol;1-(6-tert-butyl-3-pyridinyl)ethanone is CC(=O)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(CS(C)(=O)=O)cn1.CC(C)(C)c1ccc(O)cn1.CCOc1ccc(C(C)(C)C)nc1.CNC(=O)c1ccc(C(C)(C)C)nc1.COc1ccc(C(C)(C)C)cn1.COc1ccccc1C(C)(C)C.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridin-3-ol;1-(6-tert-butyl-3-pyridinyl)ethanone?
The InChIKey is OFMNDUDWESTLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.C11H17NO2S.C11H15NO.C11H17NO.C11H16O.C10H15NO.5C10H15N.C9H13NO/c1-11(2,3)9-6-5-8(7-13-9)10(14)12-4;1-11(2,3)10-6-5-9(7-12-10)8-15(4,13)14;1-8(13)9-5-6-10(12-7-9)11(2,3)4;1-5-13-9-6-7-10(12-8-9)11(2,3)4;1-11(2,3)9-7-5-6-8-10(9)12-4;1-10(2,3)8-5-6-9(12-4)11-7-8;3*1-8-5-6-9(11-7-8)10(2,3)4;2*1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)8-5-4-7(11)6-10-8/h5-7H,1-4H3,(H,12,14);5-7H,8H2,1-4H3;5-7H,1-4H3;6-8H,5H2,1-4H3;5-8H,1-4H3;5-7H,1-4H3;5*5-7H,1-4H3;4-6,11H,1-3H3.
What are the key properties of 2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridin-3-ol;1-(6-tert-butyl-3-pyridinyl)ethanone?
2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridin-3-ol;1-(6-tert-butyl-3-pyridinyl)ethanone has a molecular weight of 2002.98 g/mol, XLogP of 29.92, 8 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridin-3-ol;1-(6-tert-butyl-3-pyridinyl)ethanone is sourced from PubChem (CID 159978773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).