methyl 5-acetyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpyridine-2-carboxylate

C22H29NO4Si — CID 135068671

IUPACmethyl 5-acetyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)c(C(C)=O)c(CO[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C22H29NO4Si/c1-15(24)20-17(16-11-9-8-10-12-16)13-18(21(25)26-5)23-19(20)14-27-28(6,7)22(2,3)4/h8-13H,14H2,1-7H3
InChIKeyNXAMMNCGKZJWPB-UHFFFAOYSA-N
MW399.56 g/mol
LogP5.26
Rot. Bonds6

About methyl 5-acetyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpyridine-2-carboxylate

methyl 5-acetyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpyridine-2-carboxylate (PubChem CID 135068671) has the molecular formula C22H29NO4Si and a molecular weight of 399.56 g/mol. Its IUPAC name is methyl 5-acetyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpyridine-2-carboxylate
PubChem CID135068671
Molecular FormulaC22H29NO4Si
Molecular Weight399.56 g/mol
Exact Mass399.19
IUPAC Namemethyl 5-acetyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)c(C(C)=O)c(CO[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C22H29NO4Si/c1-15(24)20-17(16-11-9-8-10-12-16)13-18(21(25)26-5)23-19(20)14-27-28(6,7)22(2,3)4/h8-13H,14H2,1-7H3
InChIKeyNXAMMNCGKZJWPB-UHFFFAOYSA-N
XLogP5.26
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.56
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methyl 5-acetyl-6-methyl-4-phenylpyridine-2-carboxylate
CID 102410586
methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylate
CID 90375137
1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanone
CID 171363881
diethyl 6-benzyl-4-phenylpyridine-2,5-dicarboxylate
CID 102202429
ethane;methyl 6-(hydroxymethyl)-4-phenylpyridine-2-carboxylate
CID 142291792
methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazole-4-carboxylate
CID 168861760
methyl (1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-diphenylcycloprop-2-ene-1-carboxylate
CID 102291630
methyl 3-amino-6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazine-2-carboxylate
CID 58710604
methyl 6-(hydroxymethyl)-2-methyl-4-phenylpyridine-3-carboxylate
CID 71762856
dimethyl 6-methyl-4-phenylpyridine-2,3-dicarboxylate
CID 102083837
methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxybenzoate
CID 58377303
methyl 2-[4-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-2-formylimidazol-1-yl]methyl]phenyl]benzoate
CID 19815459

Frequently Asked Questions

What is the IUPAC name of methyl 5-acetyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpyridine-2-carboxylate?
The IUPAC name of methyl 5-acetyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpyridine-2-carboxylate (CID 135068671) is methyl 5-acetyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpyridine-2-carboxylate.
What is the SMILES notation for methyl 5-acetyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpyridine-2-carboxylate?
The canonical SMILES for methyl 5-acetyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpyridine-2-carboxylate is COC(=O)c1cc(-c2ccccc2)c(C(C)=O)c(CO[Si](C)(C)C(C)(C)C)n1.
What is the InChIKey of methyl 5-acetyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpyridine-2-carboxylate?
The InChIKey is NXAMMNCGKZJWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4Si/c1-15(24)20-17(16-11-9-8-10-12-16)13-18(21(25)26-5)23-19(20)14-27-28(6,7)22(2,3)4/h8-13H,14H2,1-7H3.
What are the key properties of methyl 5-acetyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpyridine-2-carboxylate?
methyl 5-acetyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpyridine-2-carboxylate has a molecular weight of 399.56 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpyridine-2-carboxylate is sourced from PubChem (CID 135068671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).