2-(2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)acetic acid

C8H9NO4 — CID 23042611

IUPAC2-(2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)acetic acid
SMILESCc1cc(=O)[nH]c(O)c1CC(=O)O
InChIInChI=1S/C8H9NO4/c1-4-2-6(10)9-8(13)5(4)3-7(11)12/h2H,3H2,1H3,(H,11,12)(H2,9,10,13)
InChIKeyQGIWLFRXNZRKTH-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.02
Rot. Bonds2

About 2-(2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)acetic acid

2-(2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)acetic acid (PubChem CID 23042611) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 2-(2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)acetic acid
PubChem CID23042611
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name2-(2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)acetic acid
SMILESCc1cc(=O)[nH]c(O)c1CC(=O)O
InChIInChI=1S/C8H9NO4/c1-4-2-6(10)9-8(13)5(4)3-7(11)12/h2H,3H2,1H3,(H,11,12)(H2,9,10,13)
InChIKeyQGIWLFRXNZRKTH-UHFFFAOYSA-N
XLogP0.02
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)acetic acid?
The IUPAC name of 2-(2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)acetic acid (CID 23042611) is 2-(2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)acetic acid?
The canonical SMILES for 2-(2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)acetic acid is Cc1cc(=O)[nH]c(O)c1CC(=O)O.
What is the InChIKey of 2-(2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)acetic acid?
The InChIKey is QGIWLFRXNZRKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-4-2-6(10)9-8(13)5(4)3-7(11)12/h2H,3H2,1H3,(H,11,12)(H2,9,10,13).
What are the key properties of 2-(2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)acetic acid?
2-(2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)acetic acid has a molecular weight of 183.16 g/mol, XLogP of 0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)acetic acid is sourced from PubChem (CID 23042611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).