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

C10H10N2O2 — CID 56773892

IUPACethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc2[nH]ccc12
InChIInChI=1S/C10H10N2O2/c1-2-14-10(13)8-4-6-12-9-7(8)3-5-11-9/h3-6H,2H2,1H3,(H,11,12)
InChIKeyCKCBQXQNAUHBDX-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.74
Rot. Bonds2

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

ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate (PubChem CID 56773892) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate
PubChem CID56773892
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Nameethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc2[nH]ccc12
InChIInChI=1S/C10H10N2O2/c1-2-14-10(13)8-4-6-12-9-7(8)3-5-11-9/h3-6H,2H2,1H3,(H,11,12)
InChIKeyCKCBQXQNAUHBDX-UHFFFAOYSA-N
XLogP1.74
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate (CID 56773892) is ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate is CCOC(=O)c1ccnc2[nH]ccc12.
What is the InChIKey of ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate?
The InChIKey is CKCBQXQNAUHBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-2-14-10(13)8-4-6-12-9-7(8)3-5-11-9/h3-6H,2H2,1H3,(H,11,12).
What are the key properties of ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate?
ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate has a molecular weight of 190.20 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate is sourced from PubChem (CID 56773892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).