ethyl 2-chloro-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate

C17H24ClN3O3Si — CID 153351086

IUPACethyl 2-chloro-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-n2ccc(OCCC[Si](C)(C)C)n2)nc1Cl
InChIInChI=1S/C17H24ClN3O3Si/c1-5-23-17(22)13-7-8-14(19-16(13)18)21-10-9-15(20-21)24-11-6-12-25(2,3)4/h7-10H,5-6,11-12H2,1-4H3
InChIKeyLMLAXOMNQXSAJF-UHFFFAOYSA-N
MW381.94 g/mol
LogP4.20
Rot. Bonds8

About ethyl 2-chloro-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate

ethyl 2-chloro-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate (PubChem CID 153351086) has the molecular formula C17H24ClN3O3Si and a molecular weight of 381.94 g/mol. Its IUPAC name is ethyl 2-chloro-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate
PubChem CID153351086
Molecular FormulaC17H24ClN3O3Si
Molecular Weight381.94 g/mol
Exact Mass381.13
IUPAC Nameethyl 2-chloro-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-n2ccc(OCCC[Si](C)(C)C)n2)nc1Cl
InChIInChI=1S/C17H24ClN3O3Si/c1-5-23-17(22)13-7-8-14(19-16(13)18)21-10-9-15(20-21)24-11-6-12-25(2,3)4/h7-10H,5-6,11-12H2,1-4H3
InChIKeyLMLAXOMNQXSAJF-UHFFFAOYSA-N
XLogP4.20
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.94
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-chloro-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate (CID 153351086) is ethyl 2-chloro-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-chloro-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-chloro-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate is CCOC(=O)c1ccc(-n2ccc(OCCC[Si](C)(C)C)n2)nc1Cl.
What is the InChIKey of ethyl 2-chloro-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate?
The InChIKey is LMLAXOMNQXSAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3Si/c1-5-23-17(22)13-7-8-14(19-16(13)18)21-10-9-15(20-21)24-11-6-12-25(2,3)4/h7-10H,5-6,11-12H2,1-4H3.
What are the key properties of ethyl 2-chloro-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate?
ethyl 2-chloro-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate has a molecular weight of 381.94 g/mol, XLogP of 4.20, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 153351086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).