5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid

C15H11NO3 — CID 3437

IUPAC5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2cc(Cc3cccnc3)ccc2o1
InChIInChI=1S/C15H11NO3/c17-15(18)14-8-12-7-10(3-4-13(12)19-14)6-11-2-1-5-16-9-11/h1-5,7-9H,6H2,(H,17,18)
InChIKeyVHWFITPGPFLBGT-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.12
Rot. Bonds3

About 5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid

5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid (PubChem CID 3437) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid
PubChem CID3437
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2cc(Cc3cccnc3)ccc2o1
InChIInChI=1S/C15H11NO3/c17-15(18)14-8-12-7-10(3-4-13(12)19-14)6-11-2-1-5-16-9-11/h1-5,7-9H,6H2,(H,17,18)
InChIKeyVHWFITPGPFLBGT-UHFFFAOYSA-N
XLogP3.12
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid (CID 3437) is 5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid is O=C(O)c1cc2cc(Cc3cccnc3)ccc2o1.
What is the InChIKey of 5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid?
The InChIKey is VHWFITPGPFLBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-15(18)14-8-12-7-10(3-4-13(12)19-14)6-11-2-1-5-16-9-11/h1-5,7-9H,6H2,(H,17,18).
What are the key properties of 5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid?
5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 3437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).