2-pyrrolo[2,3-b]pyridin-1-ylethyl acetate

C11H12N2O2 — CID 10013153

IUPAC2-pyrrolo[2,3-b]pyridin-1-ylethyl acetate
SMILESCC(=O)OCCn1ccc2cccnc21
InChIInChI=1S/C11H12N2O2/c1-9(14)15-8-7-13-6-4-10-3-2-5-12-11(10)13/h2-6H,7-8H2,1H3
InChIKeyRFRDHKNKZMCUJW-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.60
Rot. Bonds3

About 2-pyrrolo[2,3-b]pyridin-1-ylethyl acetate

2-pyrrolo[2,3-b]pyridin-1-ylethyl acetate (PubChem CID 10013153) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-pyrrolo[2,3-b]pyridin-1-ylethyl acetate.

Molecular Properties

Compound Name2-pyrrolo[2,3-b]pyridin-1-ylethyl acetate
PubChem CID10013153
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-pyrrolo[2,3-b]pyridin-1-ylethyl acetate
SMILESCC(=O)OCCn1ccc2cccnc21
InChIInChI=1S/C11H12N2O2/c1-9(14)15-8-7-13-6-4-10-3-2-5-12-11(10)13/h2-6H,7-8H2,1H3
InChIKeyRFRDHKNKZMCUJW-UHFFFAOYSA-N
XLogP1.60
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolo[2,3-b]pyridin-1-ylethyl acetate?
The IUPAC name of 2-pyrrolo[2,3-b]pyridin-1-ylethyl acetate (CID 10013153) is 2-pyrrolo[2,3-b]pyridin-1-ylethyl acetate.
What is the SMILES notation for 2-pyrrolo[2,3-b]pyridin-1-ylethyl acetate?
The canonical SMILES for 2-pyrrolo[2,3-b]pyridin-1-ylethyl acetate is CC(=O)OCCn1ccc2cccnc21.
What is the InChIKey of 2-pyrrolo[2,3-b]pyridin-1-ylethyl acetate?
The InChIKey is RFRDHKNKZMCUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-9(14)15-8-7-13-6-4-10-3-2-5-12-11(10)13/h2-6H,7-8H2,1H3.
What are the key properties of 2-pyrrolo[2,3-b]pyridin-1-ylethyl acetate?
2-pyrrolo[2,3-b]pyridin-1-ylethyl acetate has a molecular weight of 204.23 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolo[2,3-b]pyridin-1-ylethyl acetate is sourced from PubChem (CID 10013153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).