2-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)acetic acid

C10H11NO5 — CID 54697134

IUPAC2-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)acetic acid
SMILESCC(=O)c1c(O)cc(C)n(CC(=O)O)c1=O
InChIInChI=1S/C10H11NO5/c1-5-3-7(13)9(6(2)12)10(16)11(5)4-8(14)15/h3,13H,4H2,1-2H3,(H,14,15)
InChIKeyRXGFEUYBVBZGDZ-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.15
Rot. Bonds3

About 2-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)acetic acid

2-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)acetic acid (PubChem CID 54697134) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)acetic acid
PubChem CID54697134
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name2-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)acetic acid
SMILESCC(=O)c1c(O)cc(C)n(CC(=O)O)c1=O
InChIInChI=1S/C10H11NO5/c1-5-3-7(13)9(6(2)12)10(16)11(5)4-8(14)15/h3,13H,4H2,1-2H3,(H,14,15)
InChIKeyRXGFEUYBVBZGDZ-UHFFFAOYSA-N
XLogP0.15
TPSA96.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)acetic acid (CID 54697134) is 2-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)acetic acid is CC(=O)c1c(O)cc(C)n(CC(=O)O)c1=O.
What is the InChIKey of 2-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)acetic acid?
The InChIKey is RXGFEUYBVBZGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-5-3-7(13)9(6(2)12)10(16)11(5)4-8(14)15/h3,13H,4H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)acetic acid?
2-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)acetic acid has a molecular weight of 225.20 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 54697134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).