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

C141H163ClN10O23Si3 — CID 157238886

IUPAC6-[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
SMILESCOC(=O)c1cc(C)c(CC(=O)c2nc(-c3cccc(CO)c3)ccc2C)c(C)n1.COC(=O)c1cc(C)c(CC(=O)c2nc(-c3cccc(CO[Si](C)(C)C(C)(C)C)c3)ccc2C)c(C)n1.COC(=O)c1nc(-c2cccc(CO)c2)ccc1C.COC(=O)c1nc(-c2cccc(CO[Si](C)(C)C(C)(C)C)c2)ccc1C.COC(=O)c1nc(Cl)ccc1C.Cc1ccc(-c2cccc(CO)c2)nc1C(=O)Cc1c(C)cc(C(=O)O)nc1C.Cc1ccc(-c2cccc(CO[Si](C)(C)C(C)(C)C)c2)nc1C(=O)O
InChIInChI=1S/C30H38N2O4Si.C24H24N2O4.C23H22N2O4.C21H29NO3Si.C20H27NO3Si.C15H15NO3.C8H8ClNO2/c1-19-13-14-25(23-12-10-11-22(16-23)18-36-37(8,9)30(4,5)6)32-28(19)27(33)17-24-20(2)15-26(29(34)35-7)31-21(24)3;1-14-8-9-20(18-7-5-6-17(11-18)13-27)26-23(14)22(28)12-19-15(2)10-21(24(29)30-4)25-16(19)3;1-13-7-8-19(17-6-4-5-16(10-17)12-26)25-22(13)21(27)11-18-14(2)9-20(23(28)29)24-15(18)3;1-15-11-12-18(22-19(15)20(23)24-5)17-10-8-9-16(13-17)14-25-26(6,7)21(2,3)4;1-14-10-11-17(21-18(14)19(22)23)16-9-7-8-15(12-16)13-24-25(5,6)20(2,3)4;1-10-6-7-13(16-14(10)15(18)19-2)12-5-3-4-11(8-12)9-17;1-5-3-4-6(9)10-7(5)8(11)12-2/h10-16H,17-18H2,1-9H3;5-11,27H,12-13H2,1-4H3;4-10,26H,11-12H2,1-3H3,(H,28,29);8-13H,14H2,1-7H3;7-12H,13H2,1-6H3,(H,22,23);3-8,17H,9H2,1-2H3;3-4H,1-2H3
InChIKeyAUYWSGGBBRSUFD-UHFFFAOYSA-N
MW2485.61 g/mol
LogP29.07
Rot. Bonds34

About 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

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 (PubChem CID 157238886) has the molecular formula C141H163ClN10O23Si3 and a molecular weight of 2485.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID157238886
Molecular FormulaC141H163ClN10O23Si3
Molecular Weight2485.61 g/mol
Exact Mass2483.09
IUPAC Name6-[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
SMILESCOC(=O)c1cc(C)c(CC(=O)c2nc(-c3cccc(CO)c3)ccc2C)c(C)n1.COC(=O)c1cc(C)c(CC(=O)c2nc(-c3cccc(CO[Si](C)(C)C(C)(C)C)c3)ccc2C)c(C)n1.COC(=O)c1nc(-c2cccc(CO)c2)ccc1C.COC(=O)c1nc(-c2cccc(CO[Si](C)(C)C(C)(C)C)c2)ccc1C.COC(=O)c1nc(Cl)ccc1C.Cc1ccc(-c2cccc(CO)c2)nc1C(=O)Cc1c(C)cc(C(=O)O)nc1C.Cc1ccc(-c2cccc(CO[Si](C)(C)C(C)(C)C)c2)nc1C(=O)O
InChIInChI=1S/C30H38N2O4Si.C24H24N2O4.C23H22N2O4.C21H29NO3Si.C20H27NO3Si.C15H15NO3.C8H8ClNO2/c1-19-13-14-25(23-12-10-11-22(16-23)18-36-37(8,9)30(4,5)6)32-28(19)27(33)17-24-20(2)15-26(29(34)35-7)31-21(24)3;1-14-8-9-20(18-7-5-6-17(11-18)13-27)26-23(14)22(28)12-19-15(2)10-21(24(29)30-4)25-16(19)3;1-13-7-8-19(17-6-4-5-16(10-17)12-26)25-22(13)21(27)11-18-14(2)9-20(23(28)29)24-15(18)3;1-15-11-12-18(22-19(15)20(23)24-5)17-10-8-9-16(13-17)14-25-26(6,7)21(2,3)4;1-14-10-11-17(21-18(14)19(22)23)16-9-7-8-15(12-16)13-24-25(5,6)20(2,3)4;1-10-6-7-13(16-14(10)15(18)19-2)12-5-3-4-11(8-12)9-17;1-5-3-4-6(9)10-7(5)8(11)12-2/h10-16H,17-18H2,1-9H3;5-11,27H,12-13H2,1-4H3;4-10,26H,11-12H2,1-3H3,(H,28,29);8-13H,14H2,1-7H3;7-12H,13H2,1-6H3,(H,22,23);3-8,17H,9H2,1-2H3;3-4H,1-2H3
InChIKeyAUYWSGGBBRSUFD-UHFFFAOYSA-N
XLogP29.07
TPSA474.59 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds34
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002485.61
LogP ≤ 529.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
dimethyl 4-chloropyridine-2,6-dicarboxylate;dimethyl 4-phenylpyridine-2,6-dicarboxylate;methyl 6-(azidomethyl)-4-phenylpyridine-2-carboxylate;methyl 6-(chloromethyl)-4-phenylpyridine-2-carboxylate;methyl 6-(hydroxymethyl)-4-phenylpyridine-2-carboxylate;4-oxo-1H-pyridine-2,6-dicarboxylic acid
CID 157872882
2-Bromo-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanone;tert-butyl-[[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methoxy]-dimethylsilane;tert-butyl-[[2-(3-chloro-4-fluorophenyl)-6-(1-ethoxyethenyl)-4-pyridinyl]methoxy]-dimethylsilane;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol;(3-chloro-4-fluorophenyl)boronic acid;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate
CID 159273870
4-chloro-2-methyl-6-phenylpyridine;4-chloro-6-phenylpyridine-2-carboxylic acid;ethyl 4-chloro-6-phenylpyridine-2-carboxylate;2-methyl-6-phenyl-1H-pyridin-4-one;4-oxo-6-phenyl-1H-pyridine-2-carboxylic acid
CID 159647810
4,5-Dichloro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl chloride;4,5-dichloro-6-(4-methylphenyl)pyridine-2-carbonyl chloride;4,5-dichloro-6-phenylpyridine-2-carbonyl chloride;4,5-difluoro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl fluoride;4,5-difluoro-6-(4-methylphenyl)pyridine-2-carbonyl fluoride;4,5-difluoro-6-phenylpyridine-2-carbonyl fluoride;fluoromethane;propan-2-yl 4,5-difluoro-6-(4-methylphenyl)pyridine-2-carboxylate;propan-2-yl 4,5-difluoro-6-phenylpyridine-2-carboxylate
CID 159827780
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
5-Fluoro-6-phenylpyridine-2-carboxylic acid;propan-2-yl 5-chloro-6-phenylpyridine-2-carboxylate;propan-2-yl 5-fluoro-6-phenylpyridine-2-carboxylate;propan-2-yl 5-methyl-6-phenylpyridine-2-carboxylate;tetramethylazanium;hydrofluoride
CID 160341069
4-[2-[2,6-bis(ethoxycarbonyl)-4-pyridinyl]ethynyl]benzoic acid;4-[2-(4-carboxyphenyl)ethynyl]pyridine-2,6-dicarboxylic acid;diethyl 4-chloropyridine-2,6-dicarboxylate;diethyl 4-ethynylpyridine-2,6-dicarboxylate;diethyl 4-iodopyridine-2,6-dicarboxylate;diethyl 4-(2-trimethylsilylethynyl)pyridine-2,6-dicarboxylate;4-oxo-1H-pyridine-2,6-dicarboxylic acid
CID 160538350
2,4-Dimethyl-3-[2-(3-methyl-6-phenyl-2-pyridinyl)-2-oxoethyl]benzoic acid;methyl 3-amino-2,4-dimethylbenzoate;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 2,4-dimethyl-3-[2-(3-methyl-6-phenyl-2-pyridinyl)-2-oxoethyl]benzoate;methyl 3-methyl-6-phenylpyridine-2-carboxylate;3-methyl-6-phenylpyridine-2-carboxylic acid;phenylboronic acid
CID 161080854
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
Tert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2,6-dichloro-4-pyridinyl)propan-2-yloxy]-dimethylsilane;2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]butan-2-ol;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate
CID 161483860

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)c1cc(C)c(CC(=O)c2nc(-c3cccc(CO)c3)ccc2C)c(C)n1.COC(=O)c1cc(C)c(CC(=O)c2nc(-c3cccc(CO[Si](C)(C)C(C)(C)C)c3)ccc2C)c(C)n1.COC(=O)c1nc(-c2cccc(CO)c2)ccc1C.COC(=O)c1nc(-c2cccc(CO[Si](C)(C)C(C)(C)C)c2)ccc1C.COC(=O)c1nc(Cl)ccc1C.Cc1ccc(-c2cccc(CO)c2)nc1C(=O)Cc1c(C)cc(C(=O)O)nc1C.Cc1ccc(-c2cccc(CO[Si](C)(C)C(C)(C)C)c2)nc1C(=O)O.
What is the InChIKey of 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?
The InChIKey is AUYWSGGBBRSUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O4Si.C24H24N2O4.C23H22N2O4.C21H29NO3Si.C20H27NO3Si.C15H15NO3.C8H8ClNO2/c1-19-13-14-25(23-12-10-11-22(16-23)18-36-37(8,9)30(4,5)6)32-28(19)27(33)17-24-20(2)15-26(29(34)35-7)31-21(24)3;1-14-8-9-20(18-7-5-6-17(11-18)13-27)26-23(14)22(28)12-19-15(2)10-21(24(29)30-4)25-16(19)3;1-13-7-8-19(17-6-4-5-16(10-17)12-26)25-22(13)21(27)11-18-14(2)9-20(23(28)29)24-15(18)3;1-15-11-12-18(22-19(15)20(23)24-5)17-10-8-9-16(13-17)14-25-26(6,7)21(2,3)4;1-14-10-11-17(21-18(14)19(22)23)16-9-7-8-15(12-16)13-24-25(5,6)20(2,3)4;1-10-6-7-13(16-14(10)15(18)19-2)12-5-3-4-11(8-12)9-17;1-5-3-4-6(9)10-7(5)8(11)12-2/h10-16H,17-18H2,1-9H3;5-11,27H,12-13H2,1-4H3;4-10,26H,11-12H2,1-3H3,(H,28,29);8-13H,14H2,1-7H3;7-12H,13H2,1-6H3,(H,22,23);3-8,17H,9H2,1-2H3;3-4H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2485.61 g/mol, XLogP of 29.07, 34 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157238886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).