1-(5-hydroxypyrrolo[2,3-b]pyridin-1-yl)ethanone

C9H8N2O2 — CID 27274720

IUPAC1-(5-hydroxypyrrolo[2,3-b]pyridin-1-yl)ethanone
SMILESCC(=O)n1ccc2cc(O)cnc21
InChIInChI=1S/C9H8N2O2/c1-6(12)11-3-2-7-4-8(13)5-10-9(7)11/h2-5,13H,1H3
InChIKeyPPKXTWKGFGLLEB-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.40
Rot. Bonds

About 1-(5-hydroxypyrrolo[2,3-b]pyridin-1-yl)ethanone

1-(5-hydroxypyrrolo[2,3-b]pyridin-1-yl)ethanone (PubChem CID 27274720) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 1-(5-hydroxypyrrolo[2,3-b]pyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-hydroxypyrrolo[2,3-b]pyridin-1-yl)ethanone
PubChem CID27274720
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name1-(5-hydroxypyrrolo[2,3-b]pyridin-1-yl)ethanone
SMILESCC(=O)n1ccc2cc(O)cnc21
InChIInChI=1S/C9H8N2O2/c1-6(12)11-3-2-7-4-8(13)5-10-9(7)11/h2-5,13H,1H3
InChIKeyPPKXTWKGFGLLEB-UHFFFAOYSA-N
XLogP1.40
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxypyrrolo[2,3-b]pyridin-1-yl)ethanone?
The IUPAC name of 1-(5-hydroxypyrrolo[2,3-b]pyridin-1-yl)ethanone (CID 27274720) is 1-(5-hydroxypyrrolo[2,3-b]pyridin-1-yl)ethanone.
What is the SMILES notation for 1-(5-hydroxypyrrolo[2,3-b]pyridin-1-yl)ethanone?
The canonical SMILES for 1-(5-hydroxypyrrolo[2,3-b]pyridin-1-yl)ethanone is CC(=O)n1ccc2cc(O)cnc21.
What is the InChIKey of 1-(5-hydroxypyrrolo[2,3-b]pyridin-1-yl)ethanone?
The InChIKey is PPKXTWKGFGLLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-6(12)11-3-2-7-4-8(13)5-10-9(7)11/h2-5,13H,1H3.
What are the key properties of 1-(5-hydroxypyrrolo[2,3-b]pyridin-1-yl)ethanone?
1-(5-hydroxypyrrolo[2,3-b]pyridin-1-yl)ethanone has a molecular weight of 176.17 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxypyrrolo[2,3-b]pyridin-1-yl)ethanone is sourced from PubChem (CID 27274720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).