ethyl 4-chloro-2H-pyrrolo[2,3-c]pyridine-3-carboxylate

C10H9ClN2O2 — CID 97294790

IUPACethyl 4-chloro-2H-pyrrolo[2,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)C1=c2c(Cl)cncc2=NC1
InChIInChI=1S/C10H9ClN2O2/c1-2-15-10(14)6-3-13-8-5-12-4-7(11)9(6)8/h4-5H,2-3H2,1H3
InChIKeyFMKYZIXSZMZHCY-UHFFFAOYSA-N
MW224.65 g/mol
LogP0.08
Rot. Bonds2

About ethyl 4-chloro-2H-pyrrolo[2,3-c]pyridine-3-carboxylate

ethyl 4-chloro-2H-pyrrolo[2,3-c]pyridine-3-carboxylate (PubChem CID 97294790) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is ethyl 4-chloro-2H-pyrrolo[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-2H-pyrrolo[2,3-c]pyridine-3-carboxylate
PubChem CID97294790
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Nameethyl 4-chloro-2H-pyrrolo[2,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)C1=c2c(Cl)cncc2=NC1
InChIInChI=1S/C10H9ClN2O2/c1-2-15-10(14)6-3-13-8-5-12-4-7(11)9(6)8/h4-5H,2-3H2,1H3
InChIKeyFMKYZIXSZMZHCY-UHFFFAOYSA-N
XLogP0.08
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-2H-pyrrolo[2,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 4-chloro-2H-pyrrolo[2,3-c]pyridine-3-carboxylate (CID 97294790) is ethyl 4-chloro-2H-pyrrolo[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-2H-pyrrolo[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-2H-pyrrolo[2,3-c]pyridine-3-carboxylate is CCOC(=O)C1=c2c(Cl)cncc2=NC1.
What is the InChIKey of ethyl 4-chloro-2H-pyrrolo[2,3-c]pyridine-3-carboxylate?
The InChIKey is FMKYZIXSZMZHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-2-15-10(14)6-3-13-8-5-12-4-7(11)9(6)8/h4-5H,2-3H2,1H3.
What are the key properties of ethyl 4-chloro-2H-pyrrolo[2,3-c]pyridine-3-carboxylate?
ethyl 4-chloro-2H-pyrrolo[2,3-c]pyridine-3-carboxylate has a molecular weight of 224.65 g/mol, XLogP of 0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-2H-pyrrolo[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 97294790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).