2-(6-methoxy-3-pyridinyl)acetic acid

C8H9NO3 — CID 11953492

IUPAC2-(6-methoxy-3-pyridinyl)acetic acid
SMILESCOc1ccc(CC(=O)O)cn1
InChIInChI=1S/C8H9NO3/c1-12-7-3-2-6(5-9-7)4-8(10)11/h2-3,5H,4H2,1H3,(H,10,11)
InChIKeyUTQOMFXXEDWGIQ-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.72
Rot. Bonds3

About 2-(6-methoxy-3-pyridinyl)acetic acid

2-(6-methoxy-3-pyridinyl)acetic acid (PubChem CID 11953492) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)acetic acid
PubChem CID11953492
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-(6-methoxy-3-pyridinyl)acetic acid
SMILESCOc1ccc(CC(=O)O)cn1
InChIInChI=1S/C8H9NO3/c1-12-7-3-2-6(5-9-7)4-8(10)11/h2-3,5H,4H2,1H3,(H,10,11)
InChIKeyUTQOMFXXEDWGIQ-UHFFFAOYSA-N
XLogP0.72
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)acetic acid?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)acetic acid (CID 11953492) is 2-(6-methoxy-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)acetic acid is COc1ccc(CC(=O)O)cn1.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)acetic acid?
The InChIKey is UTQOMFXXEDWGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-12-7-3-2-6(5-9-7)4-8(10)11/h2-3,5H,4H2,1H3,(H,10,11).
What are the key properties of 2-(6-methoxy-3-pyridinyl)acetic acid?
2-(6-methoxy-3-pyridinyl)acetic acid has a molecular weight of 167.16 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)acetic acid is sourced from PubChem (CID 11953492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).