1-(5-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone

C9H8N2O2 — CID 123135084

IUPAC1-(5-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
SMILESCC(=O)c1c[nH]c2ncc(O)cc12
InChIInChI=1S/C9H8N2O2/c1-5(12)8-4-11-9-7(8)2-6(13)3-10-9/h2-4,13H,1H3,(H,10,11)
InChIKeyHNGWDOFDNMWMNY-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.47
Rot. Bonds1

About 1-(5-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone

1-(5-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (PubChem CID 123135084) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 1-(5-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
PubChem CID123135084
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name1-(5-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
SMILESCC(=O)c1c[nH]c2ncc(O)cc12
InChIInChI=1S/C9H8N2O2/c1-5(12)8-4-11-9-7(8)2-6(13)3-10-9/h2-4,13H,1H3,(H,10,11)
InChIKeyHNGWDOFDNMWMNY-UHFFFAOYSA-N
XLogP1.47
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 155733447
5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;ethane
CID 153389354
methyl 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate
CID 73013620
5-nitroso-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 88533301
ethane;5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 143070523
3-acetyl-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid
CID 123135096
1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 71721068
5-(butanoylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11358197
1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)octan-1-one
CID 106884870
5-benzamido-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11313743
5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide
CID 146591499
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-dichlorophenyl)methanone
CID 58086013

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The IUPAC name of 1-(5-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (CID 123135084) is 1-(5-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-(5-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The canonical SMILES for 1-(5-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone is CC(=O)c1c[nH]c2ncc(O)cc12.
What is the InChIKey of 1-(5-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The InChIKey is HNGWDOFDNMWMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-5(12)8-4-11-9-7(8)2-6(13)3-10-9/h2-4,13H,1H3,(H,10,11).
What are the key properties of 1-(5-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
1-(5-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone has a molecular weight of 176.17 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone is sourced from PubChem (CID 123135084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).