2-(4-oxo-1-pyridinyl)acetic acid

C7H7NO3 — CID 817723

IUPAC2-(4-oxo-1-pyridinyl)acetic acid
SMILESO=C(O)Cn1ccc(=O)cc1
InChIInChI=1S/C7H7NO3/c9-6-1-3-8(4-2-6)5-7(10)11/h1-4H,5H2,(H,10,11)
InChIKeyPWCMMIXFOFNOAZ-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.07
Rot. Bonds2

About 2-(4-oxo-1-pyridinyl)acetic acid

2-(4-oxo-1-pyridinyl)acetic acid (PubChem CID 817723) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 2-(4-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(4-oxo-1-pyridinyl)acetic acid
PubChem CID817723
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name2-(4-oxo-1-pyridinyl)acetic acid
SMILESO=C(O)Cn1ccc(=O)cc1
InChIInChI=1S/C7H7NO3/c9-6-1-3-8(4-2-6)5-7(10)11/h1-4H,5H2,(H,10,11)
InChIKeyPWCMMIXFOFNOAZ-UHFFFAOYSA-N
XLogP-0.07
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-(4-oxo-1-pyridinyl)acetic acid (CID 817723) is 2-(4-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(4-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(4-oxo-1-pyridinyl)acetic acid is O=C(O)Cn1ccc(=O)cc1.
What is the InChIKey of 2-(4-oxo-1-pyridinyl)acetic acid?
The InChIKey is PWCMMIXFOFNOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c9-6-1-3-8(4-2-6)5-7(10)11/h1-4H,5H2,(H,10,11).
What are the key properties of 2-(4-oxo-1-pyridinyl)acetic acid?
2-(4-oxo-1-pyridinyl)acetic acid has a molecular weight of 153.14 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 817723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).