ethyl 4H-pyrrolo[2,3-c]pyridine-5-carboxylate

C10H10N2O2 — CID 68832306

IUPACethyl 4H-pyrrolo[2,3-c]pyridine-5-carboxylate
SMILESCCOC(=O)C1=NC=C2N=CC=C2C1
InChIInChI=1S/C10H10N2O2/c1-2-14-10(13)8-5-7-3-4-11-9(7)6-12-8/h3-4,6H,2,5H2,1H3
InChIKeyACFXGOTVCMNOGR-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.25
Rot. Bonds2

About ethyl 4H-pyrrolo[2,3-c]pyridine-5-carboxylate

ethyl 4H-pyrrolo[2,3-c]pyridine-5-carboxylate (PubChem CID 68832306) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is ethyl 4H-pyrrolo[2,3-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4H-pyrrolo[2,3-c]pyridine-5-carboxylate
PubChem CID68832306
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Nameethyl 4H-pyrrolo[2,3-c]pyridine-5-carboxylate
SMILESCCOC(=O)C1=NC=C2N=CC=C2C1
InChIInChI=1S/C10H10N2O2/c1-2-14-10(13)8-5-7-3-4-11-9(7)6-12-8/h3-4,6H,2,5H2,1H3
InChIKeyACFXGOTVCMNOGR-UHFFFAOYSA-N
XLogP1.25
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4H-pyrrolo[2,3-c]pyridine-5-carboxylate?
The IUPAC name of ethyl 4H-pyrrolo[2,3-c]pyridine-5-carboxylate (CID 68832306) is ethyl 4H-pyrrolo[2,3-c]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4H-pyrrolo[2,3-c]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4H-pyrrolo[2,3-c]pyridine-5-carboxylate is CCOC(=O)C1=NC=C2N=CC=C2C1.
What is the InChIKey of ethyl 4H-pyrrolo[2,3-c]pyridine-5-carboxylate?
The InChIKey is ACFXGOTVCMNOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-2-14-10(13)8-5-7-3-4-11-9(7)6-12-8/h3-4,6H,2,5H2,1H3.
What are the key properties of ethyl 4H-pyrrolo[2,3-c]pyridine-5-carboxylate?
ethyl 4H-pyrrolo[2,3-c]pyridine-5-carboxylate has a molecular weight of 190.20 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4H-pyrrolo[2,3-c]pyridine-5-carboxylate is sourced from PubChem (CID 68832306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).