2-(3-acetyl-2-oxo-1-pyridinyl)acetic acid

C9H9NO4 — CID 141307783

IUPAC2-(3-acetyl-2-oxo-1-pyridinyl)acetic acid
SMILESCC(=O)c1cccn(CC(=O)O)c1=O
InChIInChI=1S/C9H9NO4/c1-6(11)7-3-2-4-10(9(7)14)5-8(12)13/h2-4H,5H2,1H3,(H,12,13)
InChIKeyPFERGLZRUJEUPY-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.14
Rot. Bonds3

About 2-(3-acetyl-2-oxo-1-pyridinyl)acetic acid

2-(3-acetyl-2-oxo-1-pyridinyl)acetic acid (PubChem CID 141307783) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 2-(3-acetyl-2-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3-acetyl-2-oxo-1-pyridinyl)acetic acid
PubChem CID141307783
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name2-(3-acetyl-2-oxo-1-pyridinyl)acetic acid
SMILESCC(=O)c1cccn(CC(=O)O)c1=O
InChIInChI=1S/C9H9NO4/c1-6(11)7-3-2-4-10(9(7)14)5-8(12)13/h2-4H,5H2,1H3,(H,12,13)
InChIKeyPFERGLZRUJEUPY-UHFFFAOYSA-N
XLogP0.14
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-2-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-(3-acetyl-2-oxo-1-pyridinyl)acetic acid (CID 141307783) is 2-(3-acetyl-2-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3-acetyl-2-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(3-acetyl-2-oxo-1-pyridinyl)acetic acid is CC(=O)c1cccn(CC(=O)O)c1=O.
What is the InChIKey of 2-(3-acetyl-2-oxo-1-pyridinyl)acetic acid?
The InChIKey is PFERGLZRUJEUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c1-6(11)7-3-2-4-10(9(7)14)5-8(12)13/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of 2-(3-acetyl-2-oxo-1-pyridinyl)acetic acid?
2-(3-acetyl-2-oxo-1-pyridinyl)acetic acid has a molecular weight of 195.17 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-2-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 141307783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).