2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetic acid

C8H9NO4 — CID 2726303

IUPAC2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetic acid
SMILESCc1[nH]ccc(=O)c1OCC(=O)O
InChIInChI=1S/C8H9NO4/c1-5-8(13-4-7(11)12)6(10)2-3-9-5/h2-3H,4H2,1H3,(H,9,10)(H,11,12)
InChIKeyRFYNLGZKCRKHKF-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.15
Rot. Bonds3

About 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetic acid

2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetic acid (PubChem CID 2726303) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetic acid
PubChem CID2726303
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetic acid
SMILESCc1[nH]ccc(=O)c1OCC(=O)O
InChIInChI=1S/C8H9NO4/c1-5-8(13-4-7(11)12)6(10)2-3-9-5/h2-3H,4H2,1H3,(H,9,10)(H,11,12)
InChIKeyRFYNLGZKCRKHKF-UHFFFAOYSA-N
XLogP0.15
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetic acid?
The IUPAC name of 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetic acid (CID 2726303) is 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetic acid?
The canonical SMILES for 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetic acid is Cc1[nH]ccc(=O)c1OCC(=O)O.
What is the InChIKey of 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetic acid?
The InChIKey is RFYNLGZKCRKHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-5-8(13-4-7(11)12)6(10)2-3-9-5/h2-3H,4H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetic acid?
2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetic acid has a molecular weight of 183.16 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetic acid is sourced from PubChem (CID 2726303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).