2-hydroxy-1-(5-hydroxy-3-pyridinyl)ethanone

C7H7NO3 — CID 89196643

IUPAC2-hydroxy-1-(5-hydroxy-3-pyridinyl)ethanone
SMILESO=C(CO)c1cncc(O)c1
InChIInChI=1S/C7H7NO3/c9-4-7(11)5-1-6(10)3-8-2-5/h1-3,9-10H,4H2
InChIKeyJWMRQMFAERMEGK-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.04
Rot. Bonds2

About 2-hydroxy-1-(5-hydroxy-3-pyridinyl)ethanone

2-hydroxy-1-(5-hydroxy-3-pyridinyl)ethanone (PubChem CID 89196643) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 2-hydroxy-1-(5-hydroxy-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(5-hydroxy-3-pyridinyl)ethanone
PubChem CID89196643
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name2-hydroxy-1-(5-hydroxy-3-pyridinyl)ethanone
SMILESO=C(CO)c1cncc(O)c1
InChIInChI=1S/C7H7NO3/c9-4-7(11)5-1-6(10)3-8-2-5/h1-3,9-10H,4H2
InChIKeyJWMRQMFAERMEGK-UHFFFAOYSA-N
XLogP-0.04
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-1-(5-hydroxy-3-pyridinyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(5-hydroxy-3-pyridinyl)ethanone?
The IUPAC name of 2-hydroxy-1-(5-hydroxy-3-pyridinyl)ethanone (CID 89196643) is 2-hydroxy-1-(5-hydroxy-3-pyridinyl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(5-hydroxy-3-pyridinyl)ethanone?
The canonical SMILES for 2-hydroxy-1-(5-hydroxy-3-pyridinyl)ethanone is O=C(CO)c1cncc(O)c1.
What is the InChIKey of 2-hydroxy-1-(5-hydroxy-3-pyridinyl)ethanone?
The InChIKey is JWMRQMFAERMEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c9-4-7(11)5-1-6(10)3-8-2-5/h1-3,9-10H,4H2.
What are the key properties of 2-hydroxy-1-(5-hydroxy-3-pyridinyl)ethanone?
2-hydroxy-1-(5-hydroxy-3-pyridinyl)ethanone has a molecular weight of 153.14 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(5-hydroxy-3-pyridinyl)ethanone is sourced from PubChem (CID 89196643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).