2-pyridin-3-yloxybenzoic acid

C12H9NO3 — CID 43144907

IUPAC2-pyridin-3-yloxybenzoic acid
SMILESO=C(O)c1ccccc1Oc1cccnc1
InChIInChI=1S/C12H9NO3/c14-12(15)10-5-1-2-6-11(10)16-9-4-3-7-13-8-9/h1-8H,(H,14,15)
InChIKeyCVDCJGITZQGDJF-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.57
Rot. Bonds3

About 2-pyridin-3-yloxybenzoic acid

2-pyridin-3-yloxybenzoic acid (PubChem CID 43144907) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-pyridin-3-yloxybenzoic acid.

Molecular Properties

Compound Name2-pyridin-3-yloxybenzoic acid
PubChem CID43144907
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name2-pyridin-3-yloxybenzoic acid
SMILESO=C(O)c1ccccc1Oc1cccnc1
InChIInChI=1S/C12H9NO3/c14-12(15)10-5-1-2-6-11(10)16-9-4-3-7-13-8-9/h1-8H,(H,14,15)
InChIKeyCVDCJGITZQGDJF-UHFFFAOYSA-N
XLogP2.57
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yloxybenzoic acid?
The IUPAC name of 2-pyridin-3-yloxybenzoic acid (CID 43144907) is 2-pyridin-3-yloxybenzoic acid.
What is the SMILES notation for 2-pyridin-3-yloxybenzoic acid?
The canonical SMILES for 2-pyridin-3-yloxybenzoic acid is O=C(O)c1ccccc1Oc1cccnc1.
What is the InChIKey of 2-pyridin-3-yloxybenzoic acid?
The InChIKey is CVDCJGITZQGDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c14-12(15)10-5-1-2-6-11(10)16-9-4-3-7-13-8-9/h1-8H,(H,14,15).
What are the key properties of 2-pyridin-3-yloxybenzoic acid?
2-pyridin-3-yloxybenzoic acid has a molecular weight of 215.21 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yloxybenzoic acid is sourced from PubChem (CID 43144907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).