ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

C10H9ClN2O2 — CID 53438275

IUPACethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2[nH]ccc2c1Cl
InChIInChI=1S/C10H9ClN2O2/c1-2-15-10(14)7-5-13-9-6(8(7)11)3-4-12-9/h3-5H,2H2,1H3,(H,12,13)
InChIKeyYFJJWKAUSJQWAZ-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.39
Rot. Bonds2

About ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate (PubChem CID 53438275) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
PubChem CID53438275
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Nameethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2[nH]ccc2c1Cl
InChIInChI=1S/C10H9ClN2O2/c1-2-15-10(14)7-5-13-9-6(8(7)11)3-4-12-9/h3-5H,2H2,1H3,(H,12,13)
InChIKeyYFJJWKAUSJQWAZ-UHFFFAOYSA-N
XLogP2.39
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate (CID 53438275) is ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2[nH]ccc2c1Cl.
What is the InChIKey of ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The InChIKey is YFJJWKAUSJQWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-2-15-10(14)7-5-13-9-6(8(7)11)3-4-12-9/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate has a molecular weight of 224.65 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 53438275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).