ethyl 5-(1H-indol-4-yl)pyridine-3-carboxylate

C16H14N2O2 — CID 10491979

IUPACethyl 5-(1H-indol-4-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C16H14N2O2/c1-2-20-16(19)12-8-11(9-17-10-12)13-4-3-5-15-14(13)6-7-18-15/h3-10,18H,2H2,1H3
InChIKeyCVZVAYGFEIQDNC-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.41
Rot. Bonds3

About ethyl 5-(1H-indol-4-yl)pyridine-3-carboxylate

ethyl 5-(1H-indol-4-yl)pyridine-3-carboxylate (PubChem CID 10491979) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 5-(1H-indol-4-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1H-indol-4-yl)pyridine-3-carboxylate
PubChem CID10491979
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Nameethyl 5-(1H-indol-4-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C16H14N2O2/c1-2-20-16(19)12-8-11(9-17-10-12)13-4-3-5-15-14(13)6-7-18-15/h3-10,18H,2H2,1H3
InChIKeyCVZVAYGFEIQDNC-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

Analyze ethyl 5-(1H-indol-4-yl)pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-hydroxy-1H-indole-6-carboxylate
CID 53399512
ethyl 5-(2-fluoro-4-methylphenyl)pyridine-3-carboxylate
CID 67338384
ethyl 4-cyano-3-[4-(1H-indol-4-yl)phenyl]-1-methylpyrrole-2-carboxylate
CID 69023196
ethyl 3-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzoate
CID 67059870
ethyl 5-(3,4,5-trimethoxyphenyl)pyridine-3-carboxylate
CID 22557861
ethyl 5-(5-amino-2-pyridinyl)pyridine-3-carboxylate;hydrochloride
CID 139271487
2-[[3-ethoxycarbonyl-6-(1H-indol-4-yl)quinolin-4-yl]amino]benzoic acid
CID 155235631
4-(4-ethoxyphenyl)-1H-indole
CID 141124806
N-[3-(6-ethoxy-3-pyridinyl)-5-(1H-indol-4-yl)phenyl]acetamide
CID 25115108
ethane;ethyl 5-ethylpyridine-3-carboxylate
CID 143600657
ethyl 5-(4-cyano-3-hydroxyphenyl)pyridine-3-carboxylate
CID 69355460
ethyl 5-(tert-butylamino)pyridine-3-carboxylate
CID 82535159

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1H-indol-4-yl)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(1H-indol-4-yl)pyridine-3-carboxylate (CID 10491979) is ethyl 5-(1H-indol-4-yl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(1H-indol-4-yl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(1H-indol-4-yl)pyridine-3-carboxylate is CCOC(=O)c1cncc(-c2cccc3[nH]ccc23)c1.
What is the InChIKey of ethyl 5-(1H-indol-4-yl)pyridine-3-carboxylate?
The InChIKey is CVZVAYGFEIQDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-20-16(19)12-8-11(9-17-10-12)13-4-3-5-15-14(13)6-7-18-15/h3-10,18H,2H2,1H3.
What are the key properties of ethyl 5-(1H-indol-4-yl)pyridine-3-carboxylate?
ethyl 5-(1H-indol-4-yl)pyridine-3-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-(1H-indol-4-yl)pyridine-3-carboxylate is sourced from PubChem (CID 10491979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).