5-chloro-6-[[3-[3-[[3-chloro-5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde

C38H46Cl2N2O6Si2 — CID 140933737

IUPAC5-chloro-6-[[3-[3-[[3-chloro-5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde
SMILESCc1c(COc2nc(OCC[Si](C)(C)C)c(C=O)cc2Cl)cccc1-c1cccc(COc2nc(OCC[Si](C)(C)C)c(C=O)cc2Cl)c1C
InChIInChI=1S/C38H46Cl2N2O6Si2/c1-25-27(23-47-37-33(39)19-29(21-43)35(41-37)45-15-17-49(3,4)5)11-9-13-31(25)32-14-10-12-28(26(32)2)24-48-38-34(40)20-30(22-44)36(42-38)46-16-18-50(6,7)8/h9-14,19-22H,15-18,23-24H2,1-8H3
InChIKeyOZOGITKGOFWSOB-UHFFFAOYSA-N
MW753.87 g/mol
LogP10.28
Rot. Bonds17

About 5-chloro-6-[[3-[3-[[3-chloro-5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde

5-chloro-6-[[3-[3-[[3-chloro-5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde (PubChem CID 140933737) has the molecular formula C38H46Cl2N2O6Si2 and a molecular weight of 753.87 g/mol. Its IUPAC name is 5-chloro-6-[[3-[3-[[3-chloro-5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-6-[[3-[3-[[3-chloro-5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde
PubChem CID140933737
Molecular FormulaC38H46Cl2N2O6Si2
Molecular Weight753.87 g/mol
Exact Mass752.23
IUPAC Name5-chloro-6-[[3-[3-[[3-chloro-5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde
SMILESCc1c(COc2nc(OCC[Si](C)(C)C)c(C=O)cc2Cl)cccc1-c1cccc(COc2nc(OCC[Si](C)(C)C)c(C=O)cc2Cl)c1C
InChIInChI=1S/C38H46Cl2N2O6Si2/c1-25-27(23-47-37-33(39)19-29(21-43)35(41-37)45-15-17-49(3,4)5)11-9-13-31(25)32-14-10-12-28(26(32)2)24-48-38-34(40)20-30(22-44)36(42-38)46-16-18-50(6,7)8/h9-14,19-22H,15-18,23-24H2,1-8H3
InChIKeyOZOGITKGOFWSOB-UHFFFAOYSA-N
XLogP10.28
TPSA96.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.87
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[3-[3-[[3-chloro-5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 5-chloro-6-[[3-[3-[[3-chloro-5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde (CID 140933737) is 5-chloro-6-[[3-[3-[[3-chloro-5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-chloro-6-[[3-[3-[[3-chloro-5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 5-chloro-6-[[3-[3-[[3-chloro-5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde is Cc1c(COc2nc(OCC[Si](C)(C)C)c(C=O)cc2Cl)cccc1-c1cccc(COc2nc(OCC[Si](C)(C)C)c(C=O)cc2Cl)c1C.
What is the InChIKey of 5-chloro-6-[[3-[3-[[3-chloro-5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde?
The InChIKey is OZOGITKGOFWSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46Cl2N2O6Si2/c1-25-27(23-47-37-33(39)19-29(21-43)35(41-37)45-15-17-49(3,4)5)11-9-13-31(25)32-14-10-12-28(26(32)2)24-48-38-34(40)20-30(22-44)36(42-38)46-16-18-50(6,7)8/h9-14,19-22H,15-18,23-24H2,1-8H3.
What are the key properties of 5-chloro-6-[[3-[3-[[3-chloro-5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde?
5-chloro-6-[[3-[3-[[3-chloro-5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde has a molecular weight of 753.87 g/mol, XLogP of 10.28, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[3-[3-[[3-chloro-5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 140933737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).