3-(1-benzofuran-2-yl)pyridine-2-carboxylic acid

C14H9NO3 — CID 107525167

IUPAC3-(1-benzofuran-2-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1-c1cc2ccccc2o1
InChIInChI=1S/C14H9NO3/c16-14(17)13-10(5-3-7-15-13)12-8-9-4-1-2-6-11(9)18-12/h1-8H,(H,16,17)
InChIKeyTWIANHZFWVWVQT-UHFFFAOYSA-N
MW239.23 g/mol
LogP3.19
Rot. Bonds2

About 3-(1-benzofuran-2-yl)pyridine-2-carboxylic acid

3-(1-benzofuran-2-yl)pyridine-2-carboxylic acid (PubChem CID 107525167) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)pyridine-2-carboxylic acid
PubChem CID107525167
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name3-(1-benzofuran-2-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1-c1cc2ccccc2o1
InChIInChI=1S/C14H9NO3/c16-14(17)13-10(5-3-7-15-13)12-8-9-4-1-2-6-11(9)18-12/h1-8H,(H,16,17)
InChIKeyTWIANHZFWVWVQT-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

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Related Compounds

3-phenylpyridine-2-carboxylic acid
CID 2762789
3-(1,3-oxazol-4-yl)pyridine-2-carboxylic acid
CID 67182983
2-(2-bromophenyl)-1-benzofuran
CID 14669096
2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
CID 67296045
2-oxochromene-3-carboxylic acid
CID 161011590
2-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]acetic acid
CID 82381604
2,5-bis(1-benzofuran-2-yl)pyrazine
CID 86184221
3-(3-phenyl-1H-pyrazol-5-yl)pyridine-2-carboxylic acid
CID 134462707
2-(1-benzofuran-2-yl)thiophene-3-carboxylic acid
CID 82385837
5-(1-benzofuran-2-yl)furan-2-carboxamide
CID 90769310
6-(1-benzofuran-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533402
2-(1-benzofuran-2-yl)-1H-pyrrolo[3,2-b]pyridine
CID 130319772

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(1-benzofuran-2-yl)pyridine-2-carboxylic acid (CID 107525167) is 3-(1-benzofuran-2-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(1-benzofuran-2-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(1-benzofuran-2-yl)pyridine-2-carboxylic acid is O=C(O)c1ncccc1-c1cc2ccccc2o1.
What is the InChIKey of 3-(1-benzofuran-2-yl)pyridine-2-carboxylic acid?
The InChIKey is TWIANHZFWVWVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c16-14(17)13-10(5-3-7-15-13)12-8-9-4-1-2-6-11(9)18-12/h1-8H,(H,16,17).
What are the key properties of 3-(1-benzofuran-2-yl)pyridine-2-carboxylic acid?
3-(1-benzofuran-2-yl)pyridine-2-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 3-(1-benzofuran-2-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 107525167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).