ethyl 5-pyridin-4-yl-1H-indole-2-carboxylate

C16H14N2O2 — CID 56850272

IUPACethyl 5-pyridin-4-yl-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(-c3ccncc3)ccc2[nH]1
InChIInChI=1S/C16H14N2O2/c1-2-20-16(19)15-10-13-9-12(3-4-14(13)18-15)11-5-7-17-8-6-11/h3-10,18H,2H2,1H3
InChIKeyHESNUJSXTQZPIZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.41
Rot. Bonds3

About ethyl 5-pyridin-4-yl-1H-indole-2-carboxylate

ethyl 5-pyridin-4-yl-1H-indole-2-carboxylate (PubChem CID 56850272) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 5-pyridin-4-yl-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-pyridin-4-yl-1H-indole-2-carboxylate
PubChem CID56850272
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Nameethyl 5-pyridin-4-yl-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(-c3ccncc3)ccc2[nH]1
InChIInChI=1S/C16H14N2O2/c1-2-20-16(19)15-10-13-9-12(3-4-14(13)18-15)11-5-7-17-8-6-11/h3-10,18H,2H2,1H3
InChIKeyHESNUJSXTQZPIZ-UHFFFAOYSA-N
XLogP3.41
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-pyridin-4-yl-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-pyridin-4-yl-1H-indole-2-carboxylate (CID 56850272) is ethyl 5-pyridin-4-yl-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-pyridin-4-yl-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-pyridin-4-yl-1H-indole-2-carboxylate is CCOC(=O)c1cc2cc(-c3ccncc3)ccc2[nH]1.
What is the InChIKey of ethyl 5-pyridin-4-yl-1H-indole-2-carboxylate?
The InChIKey is HESNUJSXTQZPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-20-16(19)15-10-13-9-12(3-4-14(13)18-15)11-5-7-17-8-6-11/h3-10,18H,2H2,1H3.
What are the key properties of ethyl 5-pyridin-4-yl-1H-indole-2-carboxylate?
ethyl 5-pyridin-4-yl-1H-indole-2-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-pyridin-4-yl-1H-indole-2-carboxylate is sourced from PubChem (CID 56850272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).