ethyl 5-amino-6-iodo-3-methoxypyridine-2-carboxylate;ethyl 5-amino-3-methoxy-6-(2-trimethylsilylethynyl)pyridine-2-carboxylate;ethynyl(trimethyl)silane

C28H41IN4O6Si2 — CID 159063729

IUPACethyl 5-amino-6-iodo-3-methoxypyridine-2-carboxylate;ethyl 5-amino-3-methoxy-6-(2-trimethylsilylethynyl)pyridine-2-carboxylate;ethynyl(trimethyl)silane
SMILESC#C[Si](C)(C)C.CCOC(=O)c1nc(C#C[Si](C)(C)C)c(N)cc1OC.CCOC(=O)c1nc(I)c(N)cc1OC
InChIInChI=1S/C14H20N2O3Si.C9H11IN2O3.C5H10Si/c1-6-19-14(17)13-12(18-2)9-10(15)11(16-13)7-8-20(3,4)5;1-3-15-9(13)7-6(14-2)4-5(11)8(10)12-7;1-5-6(2,3)4/h9H,6,15H2,1-5H3;4H,3,11H2,1-2H3;1H,2-4H3
InChIKeyJYUFETPQADFVMO-UHFFFAOYSA-N
MW712.73 g/mol
LogP5.03
Rot. Bonds6

About ethyl 5-amino-6-iodo-3-methoxypyridine-2-carboxylate;ethyl 5-amino-3-methoxy-6-(2-trimethylsilylethynyl)pyridine-2-carboxylate;ethynyl(trimethyl)silane

ethyl 5-amino-6-iodo-3-methoxypyridine-2-carboxylate;ethyl 5-amino-3-methoxy-6-(2-trimethylsilylethynyl)pyridine-2-carboxylate;ethynyl(trimethyl)silane (PubChem CID 159063729) has the molecular formula C28H41IN4O6Si2 and a molecular weight of 712.73 g/mol. Its IUPAC name is ethyl 5-amino-6-iodo-3-methoxypyridine-2-carboxylate;ethyl 5-amino-3-methoxy-6-(2-trimethylsilylethynyl)pyridine-2-carboxylate;ethynyl(trimethyl)silane.

Molecular Properties

Compound Nameethyl 5-amino-6-iodo-3-methoxypyridine-2-carboxylate;ethyl 5-amino-3-methoxy-6-(2-trimethylsilylethynyl)pyridine-2-carboxylate;ethynyl(trimethyl)silane
PubChem CID159063729
Molecular FormulaC28H41IN4O6Si2
Molecular Weight712.73 g/mol
Exact Mass712.16
IUPAC Nameethyl 5-amino-6-iodo-3-methoxypyridine-2-carboxylate;ethyl 5-amino-3-methoxy-6-(2-trimethylsilylethynyl)pyridine-2-carboxylate;ethynyl(trimethyl)silane
SMILESC#C[Si](C)(C)C.CCOC(=O)c1nc(C#C[Si](C)(C)C)c(N)cc1OC.CCOC(=O)c1nc(I)c(N)cc1OC
InChIInChI=1S/C14H20N2O3Si.C9H11IN2O3.C5H10Si/c1-6-19-14(17)13-12(18-2)9-10(15)11(16-13)7-8-20(3,4)5;1-3-15-9(13)7-6(14-2)4-5(11)8(10)12-7;1-5-6(2,3)4/h9H,6,15H2,1-5H3;4H,3,11H2,1-2H3;1H,2-4H3
InChIKeyJYUFETPQADFVMO-UHFFFAOYSA-N
XLogP5.03
TPSA148.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.73
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze ethyl 5-amino-6-iodo-3-methoxypyridine-2-carboxylate;ethyl 5-amino-3-methoxy-6-(2-trimethylsilylethynyl)pyridine-2-carboxylate;ethynyl(trimethyl)silane with MolForge

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Related Compounds

ethyl 2,6-bis(2-trimethylsilylethynyl)pyridine-4-carboxylate
CID 155292927
methyl 4-amino-2-methoxy-5-(2-trimethylsilylethynyl)benzoate
CID 141367540
ethyl 4-iodo-2,6-dimethoxybenzoate
CID 22933011
ethyl 5-(2-amino-4,5-dimethoxyphenyl)-1,2,4-oxadiazole-3-carboxylate
CID 115970566
ethyl 5-[3-(2-trimethylsilylethynyl)phenyl]-2H-triazole-4-carboxylate
CID 169401350
ethyl 6-cyano-5-methoxypyridine-2-carboxylate
CID 133097463
ethyl 4-amino-2-chloro-5-(2-trimethylsilylethynyl)benzoate
CID 58688773
ethyl 2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carboxylate
CID 133101859
ethyl 2,4-diiodo-5-methoxybenzoate
CID 134645167
ethyl 3-[2-(2-methoxyphenyl)ethynyl]quinoxaline-2-carboxylate
CID 134131568
ethyl 6-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134681708
ethyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate
CID 133060108

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-6-iodo-3-methoxypyridine-2-carboxylate;ethyl 5-amino-3-methoxy-6-(2-trimethylsilylethynyl)pyridine-2-carboxylate;ethynyl(trimethyl)silane?
The IUPAC name of ethyl 5-amino-6-iodo-3-methoxypyridine-2-carboxylate;ethyl 5-amino-3-methoxy-6-(2-trimethylsilylethynyl)pyridine-2-carboxylate;ethynyl(trimethyl)silane (CID 159063729) is ethyl 5-amino-6-iodo-3-methoxypyridine-2-carboxylate;ethyl 5-amino-3-methoxy-6-(2-trimethylsilylethynyl)pyridine-2-carboxylate;ethynyl(trimethyl)silane.
What is the SMILES notation for ethyl 5-amino-6-iodo-3-methoxypyridine-2-carboxylate;ethyl 5-amino-3-methoxy-6-(2-trimethylsilylethynyl)pyridine-2-carboxylate;ethynyl(trimethyl)silane?
The canonical SMILES for ethyl 5-amino-6-iodo-3-methoxypyridine-2-carboxylate;ethyl 5-amino-3-methoxy-6-(2-trimethylsilylethynyl)pyridine-2-carboxylate;ethynyl(trimethyl)silane is C#C[Si](C)(C)C.CCOC(=O)c1nc(C#C[Si](C)(C)C)c(N)cc1OC.CCOC(=O)c1nc(I)c(N)cc1OC.
What is the InChIKey of ethyl 5-amino-6-iodo-3-methoxypyridine-2-carboxylate;ethyl 5-amino-3-methoxy-6-(2-trimethylsilylethynyl)pyridine-2-carboxylate;ethynyl(trimethyl)silane?
The InChIKey is JYUFETPQADFVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3Si.C9H11IN2O3.C5H10Si/c1-6-19-14(17)13-12(18-2)9-10(15)11(16-13)7-8-20(3,4)5;1-3-15-9(13)7-6(14-2)4-5(11)8(10)12-7;1-5-6(2,3)4/h9H,6,15H2,1-5H3;4H,3,11H2,1-2H3;1H,2-4H3.
What are the key properties of ethyl 5-amino-6-iodo-3-methoxypyridine-2-carboxylate;ethyl 5-amino-3-methoxy-6-(2-trimethylsilylethynyl)pyridine-2-carboxylate;ethynyl(trimethyl)silane?
ethyl 5-amino-6-iodo-3-methoxypyridine-2-carboxylate;ethyl 5-amino-3-methoxy-6-(2-trimethylsilylethynyl)pyridine-2-carboxylate;ethynyl(trimethyl)silane has a molecular weight of 712.73 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-6-iodo-3-methoxypyridine-2-carboxylate;ethyl 5-amino-3-methoxy-6-(2-trimethylsilylethynyl)pyridine-2-carboxylate;ethynyl(trimethyl)silane is sourced from PubChem (CID 159063729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).