1-(3-hydroxy-2-pyridinyl)ethanone

C7H7NO2 — CID 14088947

IUPAC1-(3-hydroxy-2-pyridinyl)ethanone
SMILESCC(=O)c1ncccc1O
InChIInChI=1S/C7H7NO2/c1-5(9)7-6(10)3-2-4-8-7/h2-4,10H,1H3
InChIKeyDYFSAZGSIBFUAI-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.99
Rot. Bonds1

About 1-(3-hydroxy-2-pyridinyl)ethanone

1-(3-hydroxy-2-pyridinyl)ethanone (PubChem CID 14088947) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 1-(3-hydroxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxy-2-pyridinyl)ethanone
PubChem CID14088947
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name1-(3-hydroxy-2-pyridinyl)ethanone
SMILESCC(=O)c1ncccc1O
InChIInChI=1S/C7H7NO2/c1-5(9)7-6(10)3-2-4-8-7/h2-4,10H,1H3
InChIKeyDYFSAZGSIBFUAI-UHFFFAOYSA-N
XLogP0.99
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-pyridinyl)ethanone?
The IUPAC name of 1-(3-hydroxy-2-pyridinyl)ethanone (CID 14088947) is 1-(3-hydroxy-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(3-hydroxy-2-pyridinyl)ethanone?
The canonical SMILES for 1-(3-hydroxy-2-pyridinyl)ethanone is CC(=O)c1ncccc1O.
What is the InChIKey of 1-(3-hydroxy-2-pyridinyl)ethanone?
The InChIKey is DYFSAZGSIBFUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c1-5(9)7-6(10)3-2-4-8-7/h2-4,10H,1H3.
What are the key properties of 1-(3-hydroxy-2-pyridinyl)ethanone?
1-(3-hydroxy-2-pyridinyl)ethanone has a molecular weight of 137.14 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-pyridinyl)ethanone is sourced from PubChem (CID 14088947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).