2-[(5-methoxy-2-pyridinyl)oxy]acetic acid

C8H9NO4 — CID 106504767

IUPAC2-[(5-methoxy-2-pyridinyl)oxy]acetic acid
SMILESCOc1ccc(OCC(=O)O)nc1
InChIInChI=1S/C8H9NO4/c1-12-6-2-3-7(9-4-6)13-5-8(10)11/h2-4H,5H2,1H3,(H,10,11)
InChIKeyLVOQYWMAASLIOA-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.55
Rot. Bonds4

About 2-[(5-methoxy-2-pyridinyl)oxy]acetic acid

2-[(5-methoxy-2-pyridinyl)oxy]acetic acid (PubChem CID 106504767) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 2-[(5-methoxy-2-pyridinyl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(5-methoxy-2-pyridinyl)oxy]acetic acid
PubChem CID106504767
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name2-[(5-methoxy-2-pyridinyl)oxy]acetic acid
SMILESCOc1ccc(OCC(=O)O)nc1
InChIInChI=1S/C8H9NO4/c1-12-6-2-3-7(9-4-6)13-5-8(10)11/h2-4H,5H2,1H3,(H,10,11)
InChIKeyLVOQYWMAASLIOA-UHFFFAOYSA-N
XLogP0.55
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-2-pyridinyl)oxy]acetic acid?
The IUPAC name of 2-[(5-methoxy-2-pyridinyl)oxy]acetic acid (CID 106504767) is 2-[(5-methoxy-2-pyridinyl)oxy]acetic acid.
What is the SMILES notation for 2-[(5-methoxy-2-pyridinyl)oxy]acetic acid?
The canonical SMILES for 2-[(5-methoxy-2-pyridinyl)oxy]acetic acid is COc1ccc(OCC(=O)O)nc1.
What is the InChIKey of 2-[(5-methoxy-2-pyridinyl)oxy]acetic acid?
The InChIKey is LVOQYWMAASLIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-12-6-2-3-7(9-4-6)13-5-8(10)11/h2-4H,5H2,1H3,(H,10,11).
What are the key properties of 2-[(5-methoxy-2-pyridinyl)oxy]acetic acid?
2-[(5-methoxy-2-pyridinyl)oxy]acetic acid has a molecular weight of 183.16 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-2-pyridinyl)oxy]acetic acid is sourced from PubChem (CID 106504767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).