tert-butyl-[(6-chloro-3-methyl-2-pyridinyl)methoxy]-dimethylsilane;(6-chloro-3-methyl-2-pyridinyl)methanol;methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pentanoate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 1-hydroxy-3-methylpyridin-1-ium-2-carboxylate;methyl 3-methylpyridine-2-carboxylate

C89H120Cl3N8O18Si2+ — CID 161395353

IUPACtert-butyl-[(6-chloro-3-methyl-2-pyridinyl)methoxy]-dimethylsilane;(6-chloro-3-methyl-2-pyridinyl)methanol;methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pentanoate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 1-hydroxy-3-methylpyridin-1-ium-2-carboxylate;methyl 3-methylpyridine-2-carboxylate
SMILESCOC(=O)CCC#Cc1ccc(C)c(CO)n1.COC(=O)CCC#Cc1ccc(C)c(CO[Si](C)(C)C(C)(C)C)n1.COC(=O)CCCCc1ccc(C)c(CO)n1.COC(=O)c1c(C)ccc[n+]1O.COC(=O)c1nc(Cl)ccc1C.COC(=O)c1ncccc1C.Cc1ccc(Cl)nc1CO.Cc1ccc(Cl)nc1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H29NO3Si.C13H22ClNOSi.C13H19NO3.C13H15NO3.C8H8ClNO2.C8H10NO3.C8H9NO2.C7H8ClNO/c1-15-12-13-16(10-8-9-11-18(21)22-5)20-17(15)14-23-24(6,7)19(2,3)4;1-10-7-8-12(14)15-11(10)9-16-17(5,6)13(2,3)4;2*1-10-7-8-11(14-12(10)9-15)5-3-4-6-13(16)17-2;1-5-3-4-6(9)10-7(5)8(11)12-2;1-6-4-3-5-9(11)7(6)8(10)12-2;1-6-4-3-5-9-7(6)8(10)11-2;1-5-2-3-7(8)9-6(5)4-10/h12-13H,9,11,14H2,1-7H3;7-8H,9H2,1-6H3;7-8,15H,3-6,9H2,1-2H3;7-8,15H,4,6,9H2,1-2H3;3-4H,1-2H3;3-5,11H,1-2H3;3-5H,1-2H3;2-3,10H,4H2,1H3/q;;;;;+1;;
InChIKeyGPWNZHMJZRAVBC-UHFFFAOYSA-N
MW1752.51 g/mol
LogP16.59
Rot. Bonds21

About tert-butyl-[(6-chloro-3-methyl-2-pyridinyl)methoxy]-dimethylsilane;(6-chloro-3-methyl-2-pyridinyl)methanol;methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pentanoate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 1-hydroxy-3-methylpyridin-1-ium-2-carboxylate;methyl 3-methylpyridine-2-carboxylate

tert-butyl-[(6-chloro-3-methyl-2-pyridinyl)methoxy]-dimethylsilane;(6-chloro-3-methyl-2-pyridinyl)methanol;methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pentanoate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 1-hydroxy-3-methylpyridin-1-ium-2-carboxylate;methyl 3-methylpyridine-2-carboxylate (PubChem CID 161395353) has the molecular formula C89H120Cl3N8O18Si2+ and a molecular weight of 1752.51 g/mol. Its IUPAC name is tert-butyl-[(6-chloro-3-methyl-2-pyridinyl)methoxy]-dimethylsilane;(6-chloro-3-methyl-2-pyridinyl)methanol;methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pentanoate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 1-hydroxy-3-methylpyridin-1-ium-2-carboxylate;methyl 3-methylpyridine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl-[(6-chloro-3-methyl-2-pyridinyl)methoxy]-dimethylsilane;(6-chloro-3-methyl-2-pyridinyl)methanol;methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pentanoate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 1-hydroxy-3-methylpyridin-1-ium-2-carboxylate;methyl 3-methylpyridine-2-carboxylate
PubChem CID161395353
Molecular FormulaC89H120Cl3N8O18Si2+
Molecular Weight1752.51 g/mol
Exact Mass1749.73
IUPAC Nametert-butyl-[(6-chloro-3-methyl-2-pyridinyl)methoxy]-dimethylsilane;(6-chloro-3-methyl-2-pyridinyl)methanol;methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pentanoate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 1-hydroxy-3-methylpyridin-1-ium-2-carboxylate;methyl 3-methylpyridine-2-carboxylate
SMILESCOC(=O)CCC#Cc1ccc(C)c(CO)n1.COC(=O)CCC#Cc1ccc(C)c(CO[Si](C)(C)C(C)(C)C)n1.COC(=O)CCCCc1ccc(C)c(CO)n1.COC(=O)c1c(C)ccc[n+]1O.COC(=O)c1nc(Cl)ccc1C.COC(=O)c1ncccc1C.Cc1ccc(Cl)nc1CO.Cc1ccc(Cl)nc1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H29NO3Si.C13H22ClNOSi.C13H19NO3.C13H15NO3.C8H8ClNO2.C8H10NO3.C8H9NO2.C7H8ClNO/c1-15-12-13-16(10-8-9-11-18(21)22-5)20-17(15)14-23-24(6,7)19(2,3)4;1-10-7-8-12(14)15-11(10)9-16-17(5,6)13(2,3)4;2*1-10-7-8-11(14-12(10)9-15)5-3-4-6-13(16)17-2;1-5-3-4-6(9)10-7(5)8(11)12-2;1-6-4-3-5-9(11)7(6)8(10)12-2;1-6-4-3-5-9-7(6)8(10)11-2;1-5-2-3-7(8)9-6(5)4-10/h12-13H,9,11,14H2,1-7H3;7-8H,9H2,1-6H3;7-8,15H,3-6,9H2,1-2H3;7-8,15H,4,6,9H2,1-2H3;3-4H,1-2H3;3-5,11H,1-2H3;3-5H,1-2H3;2-3,10H,4H2,1H3/q;;;;;+1;;
InChIKeyGPWNZHMJZRAVBC-UHFFFAOYSA-N
XLogP16.59
TPSA351.29 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds21
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001752.51
LogP ≤ 516.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze tert-butyl-[(6-chloro-3-methyl-2-pyridinyl)methoxy]-dimethylsilane;(6-chloro-3-methyl-2-pyridinyl)methanol;methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pentanoate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 1-hydroxy-3-methylpyridin-1-ium-2-carboxylate;methyl 3-methylpyridine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[5-Chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanol;methyl 5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
CID 160392583
6-[3-[[Tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-methylpyridine-2-carboxylic acid;5-[2-[6-[3-(hydroxymethyl)phenyl]-3-methyl-2-pyridinyl]-2-oxoethyl]-4,6-dimethylpyridine-2-carboxylic acid;methyl 6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-methylpyridine-2-carboxylate;methyl 5-[2-[6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-methyl-2-pyridinyl]-2-oxoethyl]-4,6-dimethylpyridine-2-carboxylate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carboxylate;methyl 5-[2-[6-[3-(hydroxymethyl)phenyl]-3-methyl-2-pyridinyl]-2-oxoethyl]-4,6-dimethylpyridine-2-carboxylate
CID 157238886
Potassium;6-chloro-3-methylpyridine-2-carboxylate;ethyl 6-chloro-3-methylpyridine-2-carboxylate;ethyl 3-methyl-1-oxidopyridin-1-ium-2-carboxylate;ethyl 3-methylpyridine-2-carboxylate;3-[2-[6-[3-(hydroxymethyl)phenyl]-3-methyl-2-pyridinyl]-2-oxoethyl]-2,4-dimethylbenzoic acid;methyl 3-[2-(6-chloro-3-methyl-2-pyridinyl)-2-oxoethyl]-2,4-dimethylbenzoate;methyl 3-[2-[6-[3-(hydroxymethyl)phenyl]-3-methyl-2-pyridinyl]-2-oxoethyl]-2,4-dimethylbenzoate;3-methylpyridine-2-carboxylic acid
CID 157283628
Octakis(carbon dioxide);ethyl 5-ethylpyridine-2-carboxylate;ethyl 6-ethylpyridine-2-carboxylate;bis(ethyl pyridine-2-carboxylate);5-ethylpyridine-2-carboxylic acid;methyl 6-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;pyridine-2-carboxylic acid
CID 158237161
Tert-butyl-[(6-chloro-3-methyl-2-pyridinyl)methoxy]-dimethylsilane;(6-chloro-3-methyl-2-pyridinyl)methanol;methane;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 3-methyl-1-oxidopyridin-1-ium-2-carboxylate;methyl 3-methylpyridine-2-carboxylate
CID 158304484
6-Chloro-3-methylpyridine-2-carboxylic acid;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 3-methyl-1-oxidopyridin-1-ium-2-carboxylate;methyl 3-methylpyridine-2-carboxylate
CID 158357458
CID 158840751
CID 158840751
Potassium;6-chloro-3-methylpyridine-2-carboxylate;ethyl 6-chloro-3-methylpyridine-2-carboxylate;ethyl 1-hydroxy-3-methylpyridin-1-ium-2-carboxylate;ethyl 3-methylpyridine-2-carboxylate;3-[2-[6-[3-(hydroxymethyl)phenyl]-3-methyl-2-pyridinyl]-2-oxoethyl]-2,4-dimethylbenzoic acid;methyl 3-[2-(6-chloro-3-methyl-2-pyridinyl)-2-oxoethyl]-2,4-dimethylbenzoate;methyl 3-[2-[6-[3-(hydroxymethyl)phenyl]-3-methyl-2-pyridinyl]-2-oxoethyl]-2,4-dimethylbenzoate;3-methylpyridine-2-carboxylic acid
CID 159942113
Ethyl 5-chloropyridine-2-carboxylate;ethyl 5-pentylpyridine-2-carboxylate;5-pentylpyridine-2-carboxylic acid
CID 160456404
Hexakis(carbon dioxide);ethyl 5-ethylpyridine-2-carboxylate;ethyl 6-ethylpyridine-2-carboxylate;ethyl pyridine-2-carboxylate;5-ethylpyridine-2-carboxylic acid;methyl 6-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate
CID 161095410
Methyl 5-(bromomethyl)-6-chloropyridine-2-carboxylate;methyl 6-chloro-5-(4-hydroxybutyl)pyridine-2-carboxylate;methyl 6-chloro-5-methylpyridine-2-carboxylate;methyl 1-hydroxy-5-methylpyridin-1-ium-2-carboxylate;methyl 5-methylpyridine-2-carboxylate
CID 161587884

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(6-chloro-3-methyl-2-pyridinyl)methoxy]-dimethylsilane;(6-chloro-3-methyl-2-pyridinyl)methanol;methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pentanoate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 1-hydroxy-3-methylpyridin-1-ium-2-carboxylate;methyl 3-methylpyridine-2-carboxylate?
The IUPAC name of tert-butyl-[(6-chloro-3-methyl-2-pyridinyl)methoxy]-dimethylsilane;(6-chloro-3-methyl-2-pyridinyl)methanol;methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pentanoate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 1-hydroxy-3-methylpyridin-1-ium-2-carboxylate;methyl 3-methylpyridine-2-carboxylate (CID 161395353) is tert-butyl-[(6-chloro-3-methyl-2-pyridinyl)methoxy]-dimethylsilane;(6-chloro-3-methyl-2-pyridinyl)methanol;methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pentanoate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 1-hydroxy-3-methylpyridin-1-ium-2-carboxylate;methyl 3-methylpyridine-2-carboxylate.
What is the SMILES notation for tert-butyl-[(6-chloro-3-methyl-2-pyridinyl)methoxy]-dimethylsilane;(6-chloro-3-methyl-2-pyridinyl)methanol;methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pentanoate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 1-hydroxy-3-methylpyridin-1-ium-2-carboxylate;methyl 3-methylpyridine-2-carboxylate?
The canonical SMILES for tert-butyl-[(6-chloro-3-methyl-2-pyridinyl)methoxy]-dimethylsilane;(6-chloro-3-methyl-2-pyridinyl)methanol;methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pentanoate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 1-hydroxy-3-methylpyridin-1-ium-2-carboxylate;methyl 3-methylpyridine-2-carboxylate is COC(=O)CCC#Cc1ccc(C)c(CO)n1.COC(=O)CCC#Cc1ccc(C)c(CO[Si](C)(C)C(C)(C)C)n1.COC(=O)CCCCc1ccc(C)c(CO)n1.COC(=O)c1c(C)ccc[n+]1O.COC(=O)c1nc(Cl)ccc1C.COC(=O)c1ncccc1C.Cc1ccc(Cl)nc1CO.Cc1ccc(Cl)nc1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(6-chloro-3-methyl-2-pyridinyl)methoxy]-dimethylsilane;(6-chloro-3-methyl-2-pyridinyl)methanol;methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pentanoate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 1-hydroxy-3-methylpyridin-1-ium-2-carboxylate;methyl 3-methylpyridine-2-carboxylate?
The InChIKey is GPWNZHMJZRAVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3Si.C13H22ClNOSi.C13H19NO3.C13H15NO3.C8H8ClNO2.C8H10NO3.C8H9NO2.C7H8ClNO/c1-15-12-13-16(10-8-9-11-18(21)22-5)20-17(15)14-23-24(6,7)19(2,3)4;1-10-7-8-12(14)15-11(10)9-16-17(5,6)13(2,3)4;2*1-10-7-8-11(14-12(10)9-15)5-3-4-6-13(16)17-2;1-5-3-4-6(9)10-7(5)8(11)12-2;1-6-4-3-5-9(11)7(6)8(10)12-2;1-6-4-3-5-9-7(6)8(10)11-2;1-5-2-3-7(8)9-6(5)4-10/h12-13H,9,11,14H2,1-7H3;7-8H,9H2,1-6H3;7-8,15H,3-6,9H2,1-2H3;7-8,15H,4,6,9H2,1-2H3;3-4H,1-2H3;3-5,11H,1-2H3;3-5H,1-2H3;2-3,10H,4H2,1H3/q;;;;;+1;;.
What are the key properties of tert-butyl-[(6-chloro-3-methyl-2-pyridinyl)methoxy]-dimethylsilane;(6-chloro-3-methyl-2-pyridinyl)methanol;methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pentanoate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 1-hydroxy-3-methylpyridin-1-ium-2-carboxylate;methyl 3-methylpyridine-2-carboxylate?
tert-butyl-[(6-chloro-3-methyl-2-pyridinyl)methoxy]-dimethylsilane;(6-chloro-3-methyl-2-pyridinyl)methanol;methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pentanoate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 1-hydroxy-3-methylpyridin-1-ium-2-carboxylate;methyl 3-methylpyridine-2-carboxylate has a molecular weight of 1752.51 g/mol, XLogP of 16.59, 21 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(6-chloro-3-methyl-2-pyridinyl)methoxy]-dimethylsilane;(6-chloro-3-methyl-2-pyridinyl)methanol;methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pentanoate;methyl 5-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]pent-4-ynoate;methyl 1-hydroxy-3-methylpyridin-1-ium-2-carboxylate;methyl 3-methylpyridine-2-carboxylate is sourced from PubChem (CID 161395353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).