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

C16H23ClN2O3Si — CID 166476125

IUPACethyl 7-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2ccnc(Cl)c2n1COCC[Si](C)(C)C
InChIInChI=1S/C16H23ClN2O3Si/c1-5-22-16(20)13-10-12-6-7-18-15(17)14(12)19(13)11-21-8-9-23(2,3)4/h6-7,10H,5,8-9,11H2,1-4H3
InChIKeyWRRDITJAAPKKIV-UHFFFAOYSA-N
MW354.91 g/mol
LogP4.18
Rot. Bonds7

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

ethyl 7-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate (PubChem CID 166476125) has the molecular formula C16H23ClN2O3Si and a molecular weight of 354.91 g/mol. Its IUPAC name is ethyl 7-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate
PubChem CID166476125
Molecular FormulaC16H23ClN2O3Si
Molecular Weight354.91 g/mol
Exact Mass354.12
IUPAC Nameethyl 7-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2ccnc(Cl)c2n1COCC[Si](C)(C)C
InChIInChI=1S/C16H23ClN2O3Si/c1-5-22-16(20)13-10-12-6-7-18-15(17)14(12)19(13)11-21-8-9-23(2,3)4/h6-7,10H,5,8-9,11H2,1-4H3
InChIKeyWRRDITJAAPKKIV-UHFFFAOYSA-N
XLogP4.18
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.91
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-bromo-7-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridine-2-carboxylate
CID 169003747
ethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate
CID 59180122
ethyl 3-bromo-4-(2-trimethylsilylethoxymethyl)furo[3,2-b]pyrrole-5-carboxylate
CID 178180599
ethyl 2-chloro-6,7-difluoro-3-(2-trimethylsilylethoxymethyl)benzimidazole-4-carboxylate
CID 145190736
ethyl 5-bromo-4-(2,2-difluoroethoxy)-1-(2-trimethylsilylethoxymethyl)indole-2-carboxylate
CID 90181101
2-[2-ethoxycarbonyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-oxoacetic acid
CID 177253844
methyl 2-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridine-7-carboxylate
CID 140752402
ethyl 3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 123609397
ethyl 2-formyl-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 166074597
ethyl 3,4-dichloro-7-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate
CID 171623271
ethyl 2-methyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate
CID 22387741
ethyl 6-oxo-1-(2-trimethylsilylethoxymethyl)pyrimidine-4-carboxylate
CID 59006647

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 7-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate (CID 166476125) is ethyl 7-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 7-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 7-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate is CCOC(=O)c1cc2ccnc(Cl)c2n1COCC[Si](C)(C)C.
What is the InChIKey of ethyl 7-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate?
The InChIKey is WRRDITJAAPKKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3Si/c1-5-22-16(20)13-10-12-6-7-18-15(17)14(12)19(13)11-21-8-9-23(2,3)4/h6-7,10H,5,8-9,11H2,1-4H3.
What are the key properties of ethyl 7-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate?
ethyl 7-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate has a molecular weight of 354.91 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 166476125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).