2-[(1-methyl-4-oxo-3-pyridinyl)oxy]acetic acid

C8H9NO4 — CID 84658868

IUPAC2-[(1-methyl-4-oxo-3-pyridinyl)oxy]acetic acid
SMILESCn1ccc(=O)c(OCC(=O)O)c1
InChIInChI=1S/C8H9NO4/c1-9-3-2-6(10)7(4-9)13-5-8(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKeyDWXGWQCSUFEADH-UHFFFAOYSA-N
MW183.16 g/mol
LogP-0.15
Rot. Bonds3

About 2-[(1-methyl-4-oxo-3-pyridinyl)oxy]acetic acid

2-[(1-methyl-4-oxo-3-pyridinyl)oxy]acetic acid (PubChem CID 84658868) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 2-[(1-methyl-4-oxo-3-pyridinyl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(1-methyl-4-oxo-3-pyridinyl)oxy]acetic acid
PubChem CID84658868
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name2-[(1-methyl-4-oxo-3-pyridinyl)oxy]acetic acid
SMILESCn1ccc(=O)c(OCC(=O)O)c1
InChIInChI=1S/C8H9NO4/c1-9-3-2-6(10)7(4-9)13-5-8(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKeyDWXGWQCSUFEADH-UHFFFAOYSA-N
XLogP-0.15
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-4-oxo-3-pyridinyl)oxy]acetic acid?
The IUPAC name of 2-[(1-methyl-4-oxo-3-pyridinyl)oxy]acetic acid (CID 84658868) is 2-[(1-methyl-4-oxo-3-pyridinyl)oxy]acetic acid.
What is the SMILES notation for 2-[(1-methyl-4-oxo-3-pyridinyl)oxy]acetic acid?
The canonical SMILES for 2-[(1-methyl-4-oxo-3-pyridinyl)oxy]acetic acid is Cn1ccc(=O)c(OCC(=O)O)c1.
What is the InChIKey of 2-[(1-methyl-4-oxo-3-pyridinyl)oxy]acetic acid?
The InChIKey is DWXGWQCSUFEADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-9-3-2-6(10)7(4-9)13-5-8(11)12/h2-4H,5H2,1H3,(H,11,12).
What are the key properties of 2-[(1-methyl-4-oxo-3-pyridinyl)oxy]acetic acid?
2-[(1-methyl-4-oxo-3-pyridinyl)oxy]acetic acid has a molecular weight of 183.16 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-4-oxo-3-pyridinyl)oxy]acetic acid is sourced from PubChem (CID 84658868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).