2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;methyl 2-(acetyloxymethyl)pyridine-3-carboxylate;methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate;methyl 2-(hydroxymethyl)pyridine-3-carboxylate;methyl 2-methyl-1-oxidopyridin-1-ium-3-carboxylate;methyl 2-methylpyridine-3-carboxylate;[(2S)-piperidin-2-yl]methanol

C67H95N7O19Si2 — CID 157141453

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;methyl 2-(acetyloxymethyl)pyridine-3-carboxylate;methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate;methyl 2-(hydroxymethyl)pyridine-3-carboxylate;methyl 2-methyl-1-oxidopyridin-1-ium-3-carboxylate;methyl 2-methylpyridine-3-carboxylate;[(2S)-piperidin-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCc1ncccc1C(=O)O.COC(=O)c1ccc[n+]([O-])c1C.COC(=O)c1cccnc1C.COC(=O)c1cccnc1CO.COC(=O)c1cccnc1COC(C)=O.COC(=O)c1cccnc1CO[Si](C)(C)C(C)(C)C.OC[C@@H]1CCCCN1
InChIInChI=1S/C14H23NO3Si.C13H21NO3Si.C10H11NO4.2C8H9NO3.C8H9NO2.C6H13NO/c1-14(2,3)19(5,6)18-10-12-11(13(16)17-4)8-7-9-15-12;1-13(2,3)18(4,5)17-9-11-10(12(15)16)7-6-8-14-11;1-7(12)15-6-9-8(10(13)14-2)4-3-5-11-9;1-6-7(8(10)12-2)4-3-5-9(6)11;1-12-8(11)6-3-2-4-9-7(6)5-10;1-6-7(8(10)11-2)4-3-5-9-6;8-5-6-3-1-2-4-7-6/h7-9H,10H2,1-6H3;6-8H,9H2,1-5H3,(H,15,16);3-5H,6H2,1-2H3;3-5H,1-2H3;2-4,10H,5H2,1H3;3-5H,1-2H3;6-8H,1-5H2/t;;;;;;6-/m......0/s1
InChIKeyKSTQJPBIWRGVPP-COQMNAHVSA-N
MW1358.70 g/mol
LogP9.70
Rot. Bonds16

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;methyl 2-(acetyloxymethyl)pyridine-3-carboxylate;methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate;methyl 2-(hydroxymethyl)pyridine-3-carboxylate;methyl 2-methyl-1-oxidopyridin-1-ium-3-carboxylate;methyl 2-methylpyridine-3-carboxylate;[(2S)-piperidin-2-yl]methanol

2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;methyl 2-(acetyloxymethyl)pyridine-3-carboxylate;methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate;methyl 2-(hydroxymethyl)pyridine-3-carboxylate;methyl 2-methyl-1-oxidopyridin-1-ium-3-carboxylate;methyl 2-methylpyridine-3-carboxylate;[(2S)-piperidin-2-yl]methanol (PubChem CID 157141453) has the molecular formula C67H95N7O19Si2 and a molecular weight of 1358.70 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;methyl 2-(acetyloxymethyl)pyridine-3-carboxylate;methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate;methyl 2-(hydroxymethyl)pyridine-3-carboxylate;methyl 2-methyl-1-oxidopyridin-1-ium-3-carboxylate;methyl 2-methylpyridine-3-carboxylate;[(2S)-piperidin-2-yl]methanol.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;methyl 2-(acetyloxymethyl)pyridine-3-carboxylate;methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate;methyl 2-(hydroxymethyl)pyridine-3-carboxylate;methyl 2-methyl-1-oxidopyridin-1-ium-3-carboxylate;methyl 2-methylpyridine-3-carboxylate;[(2S)-piperidin-2-yl]methanol
PubChem CID157141453
Molecular FormulaC67H95N7O19Si2
Molecular Weight1358.70 g/mol
Exact Mass1357.62
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;methyl 2-(acetyloxymethyl)pyridine-3-carboxylate;methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate;methyl 2-(hydroxymethyl)pyridine-3-carboxylate;methyl 2-methyl-1-oxidopyridin-1-ium-3-carboxylate;methyl 2-methylpyridine-3-carboxylate;[(2S)-piperidin-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCc1ncccc1C(=O)O.COC(=O)c1ccc[n+]([O-])c1C.COC(=O)c1cccnc1C.COC(=O)c1cccnc1CO.COC(=O)c1cccnc1COC(C)=O.COC(=O)c1cccnc1CO[Si](C)(C)C(C)(C)C.OC[C@@H]1CCCCN1
InChIInChI=1S/C14H23NO3Si.C13H21NO3Si.C10H11NO4.2C8H9NO3.C8H9NO2.C6H13NO/c1-14(2,3)19(5,6)18-10-12-11(13(16)17-4)8-7-9-15-12;1-13(2,3)18(4,5)17-9-11-10(12(15)16)7-6-8-14-11;1-7(12)15-6-9-8(10(13)14-2)4-3-5-11-9;1-6-7(8(10)12-2)4-3-5-9(6)11;1-12-8(11)6-3-2-4-9-7(6)5-10;1-6-7(8(10)11-2)4-3-5-9-6;8-5-6-3-1-2-4-7-6/h7-9H,10H2,1-6H3;6-8H,9H2,1-5H3,(H,15,16);3-5H,6H2,1-2H3;3-5H,1-2H3;2-4,10H,5H2,1H3;3-5H,1-2H3;6-8H,1-5H2/t;;;;;;6-/m......0/s1
InChIKeyKSTQJPBIWRGVPP-COQMNAHVSA-N
XLogP9.70
TPSA357.44 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001358.70
LogP ≤ 59.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;methyl 2-(acetyloxymethyl)pyridine-3-carboxylate;methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate;methyl 2-(hydroxymethyl)pyridine-3-carboxylate;methyl 2-methyl-1-oxidopyridin-1-ium-3-carboxylate;methyl 2-methylpyridine-3-carboxylate;[(2S)-piperidin-2-yl]methanol?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;methyl 2-(acetyloxymethyl)pyridine-3-carboxylate;methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate;methyl 2-(hydroxymethyl)pyridine-3-carboxylate;methyl 2-methyl-1-oxidopyridin-1-ium-3-carboxylate;methyl 2-methylpyridine-3-carboxylate;[(2S)-piperidin-2-yl]methanol (CID 157141453) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;methyl 2-(acetyloxymethyl)pyridine-3-carboxylate;methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate;methyl 2-(hydroxymethyl)pyridine-3-carboxylate;methyl 2-methyl-1-oxidopyridin-1-ium-3-carboxylate;methyl 2-methylpyridine-3-carboxylate;[(2S)-piperidin-2-yl]methanol.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;methyl 2-(acetyloxymethyl)pyridine-3-carboxylate;methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate;methyl 2-(hydroxymethyl)pyridine-3-carboxylate;methyl 2-methyl-1-oxidopyridin-1-ium-3-carboxylate;methyl 2-methylpyridine-3-carboxylate;[(2S)-piperidin-2-yl]methanol?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;methyl 2-(acetyloxymethyl)pyridine-3-carboxylate;methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate;methyl 2-(hydroxymethyl)pyridine-3-carboxylate;methyl 2-methyl-1-oxidopyridin-1-ium-3-carboxylate;methyl 2-methylpyridine-3-carboxylate;[(2S)-piperidin-2-yl]methanol is CC(C)(C)[Si](C)(C)OCc1ncccc1C(=O)O.COC(=O)c1ccc[n+]([O-])c1C.COC(=O)c1cccnc1C.COC(=O)c1cccnc1CO.COC(=O)c1cccnc1COC(C)=O.COC(=O)c1cccnc1CO[Si](C)(C)C(C)(C)C.OC[C@@H]1CCCCN1.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;methyl 2-(acetyloxymethyl)pyridine-3-carboxylate;methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate;methyl 2-(hydroxymethyl)pyridine-3-carboxylate;methyl 2-methyl-1-oxidopyridin-1-ium-3-carboxylate;methyl 2-methylpyridine-3-carboxylate;[(2S)-piperidin-2-yl]methanol?
The InChIKey is KSTQJPBIWRGVPP-COQMNAHVSA-N. The full InChI is InChI=1S/C14H23NO3Si.C13H21NO3Si.C10H11NO4.2C8H9NO3.C8H9NO2.C6H13NO/c1-14(2,3)19(5,6)18-10-12-11(13(16)17-4)8-7-9-15-12;1-13(2,3)18(4,5)17-9-11-10(12(15)16)7-6-8-14-11;1-7(12)15-6-9-8(10(13)14-2)4-3-5-11-9;1-6-7(8(10)12-2)4-3-5-9(6)11;1-12-8(11)6-3-2-4-9-7(6)5-10;1-6-7(8(10)11-2)4-3-5-9-6;8-5-6-3-1-2-4-7-6/h7-9H,10H2,1-6H3;6-8H,9H2,1-5H3,(H,15,16);3-5H,6H2,1-2H3;3-5H,1-2H3;2-4,10H,5H2,1H3;3-5H,1-2H3;6-8H,1-5H2/t;;;;;;6-/m......0/s1.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;methyl 2-(acetyloxymethyl)pyridine-3-carboxylate;methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate;methyl 2-(hydroxymethyl)pyridine-3-carboxylate;methyl 2-methyl-1-oxidopyridin-1-ium-3-carboxylate;methyl 2-methylpyridine-3-carboxylate;[(2S)-piperidin-2-yl]methanol?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;methyl 2-(acetyloxymethyl)pyridine-3-carboxylate;methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate;methyl 2-(hydroxymethyl)pyridine-3-carboxylate;methyl 2-methyl-1-oxidopyridin-1-ium-3-carboxylate;methyl 2-methylpyridine-3-carboxylate;[(2S)-piperidin-2-yl]methanol has a molecular weight of 1358.70 g/mol, XLogP of 9.70, 16 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;methyl 2-(acetyloxymethyl)pyridine-3-carboxylate;methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate;methyl 2-(hydroxymethyl)pyridine-3-carboxylate;methyl 2-methyl-1-oxidopyridin-1-ium-3-carboxylate;methyl 2-methylpyridine-3-carboxylate;[(2S)-piperidin-2-yl]methanol is sourced from PubChem (CID 157141453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).