2-(1-benzofuran-7-yl)pyridine-4-carboxylic acid

C14H9NO3 — CID 139447724

IUPAC2-(1-benzofuran-7-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cccc3ccoc23)c1
InChIInChI=1S/C14H9NO3/c16-14(17)10-4-6-15-12(8-10)11-3-1-2-9-5-7-18-13(9)11/h1-8H,(H,16,17)
InChIKeyOXEDGBFAQULNGR-UHFFFAOYSA-N
MW239.23 g/mol
LogP3.19
Rot. Bonds2

About 2-(1-benzofuran-7-yl)pyridine-4-carboxylic acid

2-(1-benzofuran-7-yl)pyridine-4-carboxylic acid (PubChem CID 139447724) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(1-benzofuran-7-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-benzofuran-7-yl)pyridine-4-carboxylic acid
PubChem CID139447724
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name2-(1-benzofuran-7-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cccc3ccoc23)c1
InChIInChI=1S/C14H9NO3/c16-14(17)10-4-6-15-12(8-10)11-3-1-2-9-5-7-18-13(9)11/h1-8H,(H,16,17)
InChIKeyOXEDGBFAQULNGR-UHFFFAOYSA-N
XLogP3.19
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-benzofuran-7-yl)pyridine-4-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

Related Compounds

bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
2-(7-fluoro-1-benzofuran-2-yl)pyridine-4-carboxylic acid
CID 115113758
2-(7-chloro-1-benzofuran-2-yl)pyridine-4-carboxylic acid
CID 115113759
3-[4-(1-benzofuran-7-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 167779226
2-[2-(2-fluorophenyl)pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 56873737
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014
2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carboxylic acid
CID 71289011
2-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid
CID 50999403
2-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-4-carboxylic acid
CID 58252537
2-(7-methyl-1H-indol-2-yl)pyridine-4-carboxylic acid
CID 115113789

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-7-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(1-benzofuran-7-yl)pyridine-4-carboxylic acid (CID 139447724) is 2-(1-benzofuran-7-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(1-benzofuran-7-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(1-benzofuran-7-yl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cccc3ccoc23)c1.
What is the InChIKey of 2-(1-benzofuran-7-yl)pyridine-4-carboxylic acid?
The InChIKey is OXEDGBFAQULNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c16-14(17)10-4-6-15-12(8-10)11-3-1-2-9-5-7-18-13(9)11/h1-8H,(H,16,17).
What are the key properties of 2-(1-benzofuran-7-yl)pyridine-4-carboxylic acid?
2-(1-benzofuran-7-yl)pyridine-4-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-7-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 139447724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).