ethyl 3,4-dichloro-7-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate

C17H24Cl2N2O4Si — CID 171623271

IUPACethyl 3,4-dichloro-7-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1c(Cl)c2c(Cl)cnc(OC)c2n1COCC[Si](C)(C)C
InChIInChI=1S/C17H24Cl2N2O4Si/c1-6-25-17(22)15-13(19)12-11(18)9-20-16(23-2)14(12)21(15)10-24-7-8-26(3,4)5/h9H,6-8,10H2,1-5H3
InChIKeyNCVUKXOENIDYDA-UHFFFAOYSA-N
MW419.38 g/mol
LogP4.84
Rot. Bonds8

About ethyl 3,4-dichloro-7-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate

ethyl 3,4-dichloro-7-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate (PubChem CID 171623271) has the molecular formula C17H24Cl2N2O4Si and a molecular weight of 419.38 g/mol. Its IUPAC name is ethyl 3,4-dichloro-7-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3,4-dichloro-7-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate
PubChem CID171623271
Molecular FormulaC17H24Cl2N2O4Si
Molecular Weight419.38 g/mol
Exact Mass418.09
IUPAC Nameethyl 3,4-dichloro-7-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1c(Cl)c2c(Cl)cnc(OC)c2n1COCC[Si](C)(C)C
InChIInChI=1S/C17H24Cl2N2O4Si/c1-6-25-17(22)15-13(19)12-11(18)9-20-16(23-2)14(12)21(15)10-24-7-8-26(3,4)5/h9H,6-8,10H2,1-5H3
InChIKeyNCVUKXOENIDYDA-UHFFFAOYSA-N
XLogP4.84
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.38
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,4-dichloro-7-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 3,4-dichloro-7-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate (CID 171623271) is ethyl 3,4-dichloro-7-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3,4-dichloro-7-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3,4-dichloro-7-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate is CCOC(=O)c1c(Cl)c2c(Cl)cnc(OC)c2n1COCC[Si](C)(C)C.
What is the InChIKey of ethyl 3,4-dichloro-7-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate?
The InChIKey is NCVUKXOENIDYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O4Si/c1-6-25-17(22)15-13(19)12-11(18)9-20-16(23-2)14(12)21(15)10-24-7-8-26(3,4)5/h9H,6-8,10H2,1-5H3.
What are the key properties of ethyl 3,4-dichloro-7-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate?
ethyl 3,4-dichloro-7-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate has a molecular weight of 419.38 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,4-dichloro-7-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 171623271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).