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

C10H13NO4 — CID 10242245

IUPAC2-[(1-ethyl-2-methyl-4-oxo-3-pyridinyl)oxy]acetic acid
SMILESCCn1ccc(=O)c(OCC(=O)O)c1C
InChIInChI=1S/C10H13NO4/c1-3-11-5-4-8(12)10(7(11)2)15-6-9(13)14/h4-5H,3,6H2,1-2H3,(H,13,14)
InChIKeyKJCAGTYOSIHSJA-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.64
Rot. Bonds4

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

2-[(1-ethyl-2-methyl-4-oxo-3-pyridinyl)oxy]acetic acid (PubChem CID 10242245) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[(1-ethyl-2-methyl-4-oxo-3-pyridinyl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(1-ethyl-2-methyl-4-oxo-3-pyridinyl)oxy]acetic acid
PubChem CID10242245
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-[(1-ethyl-2-methyl-4-oxo-3-pyridinyl)oxy]acetic acid
SMILESCCn1ccc(=O)c(OCC(=O)O)c1C
InChIInChI=1S/C10H13NO4/c1-3-11-5-4-8(12)10(7(11)2)15-6-9(13)14/h4-5H,3,6H2,1-2H3,(H,13,14)
InChIKeyKJCAGTYOSIHSJA-UHFFFAOYSA-N
XLogP0.64
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-2-methyl-4-oxo-3-pyridinyl)oxy]acetic acid?
The IUPAC name of 2-[(1-ethyl-2-methyl-4-oxo-3-pyridinyl)oxy]acetic acid (CID 10242245) is 2-[(1-ethyl-2-methyl-4-oxo-3-pyridinyl)oxy]acetic acid.
What is the SMILES notation for 2-[(1-ethyl-2-methyl-4-oxo-3-pyridinyl)oxy]acetic acid?
The canonical SMILES for 2-[(1-ethyl-2-methyl-4-oxo-3-pyridinyl)oxy]acetic acid is CCn1ccc(=O)c(OCC(=O)O)c1C.
What is the InChIKey of 2-[(1-ethyl-2-methyl-4-oxo-3-pyridinyl)oxy]acetic acid?
The InChIKey is KJCAGTYOSIHSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-3-11-5-4-8(12)10(7(11)2)15-6-9(13)14/h4-5H,3,6H2,1-2H3,(H,13,14).
What are the key properties of 2-[(1-ethyl-2-methyl-4-oxo-3-pyridinyl)oxy]acetic acid?
2-[(1-ethyl-2-methyl-4-oxo-3-pyridinyl)oxy]acetic acid has a molecular weight of 211.22 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-2-methyl-4-oxo-3-pyridinyl)oxy]acetic acid is sourced from PubChem (CID 10242245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).