2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)acetic acid

C8H9NO4 — CID 18941620

IUPAC2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)acetic acid
SMILESCC1=C(O)C(=O)C(CC(=O)O)C=N1
InChIInChI=1S/C8H9NO4/c1-4-7(12)8(13)5(3-9-4)2-6(10)11/h3,5,12H,2H2,1H3,(H,10,11)
InChIKeyHMTGIEAOYDVGKI-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.52
Rot. Bonds2

About 2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)acetic acid

2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)acetic acid (PubChem CID 18941620) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)acetic acid
PubChem CID18941620
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)acetic acid
SMILESCC1=C(O)C(=O)C(CC(=O)O)C=N1
InChIInChI=1S/C8H9NO4/c1-4-7(12)8(13)5(3-9-4)2-6(10)11/h3,5,12H,2H2,1H3,(H,10,11)
InChIKeyHMTGIEAOYDVGKI-UHFFFAOYSA-N
XLogP0.52
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)acetic acid?
The IUPAC name of 2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)acetic acid (CID 18941620) is 2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)acetic acid?
The canonical SMILES for 2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)acetic acid is CC1=C(O)C(=O)C(CC(=O)O)C=N1.
What is the InChIKey of 2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)acetic acid?
The InChIKey is HMTGIEAOYDVGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-4-7(12)8(13)5(3-9-4)2-6(10)11/h3,5,12H,2H2,1H3,(H,10,11).
What are the key properties of 2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)acetic acid?
2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)acetic acid has a molecular weight of 183.16 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)acetic acid is sourced from PubChem (CID 18941620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).