2-pyridin-3-yloxyacetic acid

C7H7NO3 — CID 3159630

IUPAC2-pyridin-3-yloxyacetic acid
SMILESO=C(O)COc1cccnc1
InChIInChI=1S/C7H7NO3/c9-7(10)5-11-6-2-1-3-8-4-6/h1-4H,5H2,(H,9,10)
InChIKeyMBEPWLCDXKKANL-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.55
Rot. Bonds3

About 2-pyridin-3-yloxyacetic acid

2-pyridin-3-yloxyacetic acid (PubChem CID 3159630) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 2-pyridin-3-yloxyacetic acid.

Molecular Properties

Compound Name2-pyridin-3-yloxyacetic acid
PubChem CID3159630
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name2-pyridin-3-yloxyacetic acid
SMILESO=C(O)COc1cccnc1
InChIInChI=1S/C7H7NO3/c9-7(10)5-11-6-2-1-3-8-4-6/h1-4H,5H2,(H,9,10)
InChIKeyMBEPWLCDXKKANL-UHFFFAOYSA-N
XLogP0.55
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yloxyacetic acid?
The IUPAC name of 2-pyridin-3-yloxyacetic acid (CID 3159630) is 2-pyridin-3-yloxyacetic acid.
What is the SMILES notation for 2-pyridin-3-yloxyacetic acid?
The canonical SMILES for 2-pyridin-3-yloxyacetic acid is O=C(O)COc1cccnc1.
What is the InChIKey of 2-pyridin-3-yloxyacetic acid?
The InChIKey is MBEPWLCDXKKANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c9-7(10)5-11-6-2-1-3-8-4-6/h1-4H,5H2,(H,9,10).
What are the key properties of 2-pyridin-3-yloxyacetic acid?
2-pyridin-3-yloxyacetic acid has a molecular weight of 153.14 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yloxyacetic acid is sourced from PubChem (CID 3159630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).