3-(pyridin-3-ylmethoxy)benzoic acid

C13H11NO3 — CID 16784114

IUPAC3-(pyridin-3-ylmethoxy)benzoic acid
SMILESO=C(O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C13H11NO3/c15-13(16)11-4-1-5-12(7-11)17-9-10-3-2-6-14-8-10/h1-8H,9H2,(H,15,16)
InChIKeyMOEOUPZPWRMGFV-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.36
Rot. Bonds4

About 3-(pyridin-3-ylmethoxy)benzoic acid

3-(pyridin-3-ylmethoxy)benzoic acid (PubChem CID 16784114) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 3-(pyridin-3-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name3-(pyridin-3-ylmethoxy)benzoic acid
PubChem CID16784114
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name3-(pyridin-3-ylmethoxy)benzoic acid
SMILESO=C(O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C13H11NO3/c15-13(16)11-4-1-5-12(7-11)17-9-10-3-2-6-14-8-10/h1-8H,9H2,(H,15,16)
InChIKeyMOEOUPZPWRMGFV-UHFFFAOYSA-N
XLogP2.36
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-ylmethoxy)benzoic acid?
The IUPAC name of 3-(pyridin-3-ylmethoxy)benzoic acid (CID 16784114) is 3-(pyridin-3-ylmethoxy)benzoic acid.
What is the SMILES notation for 3-(pyridin-3-ylmethoxy)benzoic acid?
The canonical SMILES for 3-(pyridin-3-ylmethoxy)benzoic acid is O=C(O)c1cccc(OCc2cccnc2)c1.
What is the InChIKey of 3-(pyridin-3-ylmethoxy)benzoic acid?
The InChIKey is MOEOUPZPWRMGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-13(16)11-4-1-5-12(7-11)17-9-10-3-2-6-14-8-10/h1-8H,9H2,(H,15,16).
What are the key properties of 3-(pyridin-3-ylmethoxy)benzoic acid?
3-(pyridin-3-ylmethoxy)benzoic acid has a molecular weight of 229.24 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-3-ylmethoxy)benzoic acid is sourced from PubChem (CID 16784114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).