5-(pyridine-3-carbonyl)-1-benzofuran-2-carboxylic acid

C15H9NO4 — CID 13365759

IUPAC5-(pyridine-3-carbonyl)-1-benzofuran-2-carboxylic acid
SMILESO=C(c1cccnc1)c1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C15H9NO4/c17-14(10-2-1-5-16-8-10)9-3-4-12-11(6-9)7-13(20-12)15(18)19/h1-8H,(H,18,19)
InChIKeyUMHUDRLSQUJGEI-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.76
Rot. Bonds3

About 5-(pyridine-3-carbonyl)-1-benzofuran-2-carboxylic acid

5-(pyridine-3-carbonyl)-1-benzofuran-2-carboxylic acid (PubChem CID 13365759) has the molecular formula C15H9NO4 and a molecular weight of 267.24 g/mol. Its IUPAC name is 5-(pyridine-3-carbonyl)-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-(pyridine-3-carbonyl)-1-benzofuran-2-carboxylic acid
PubChem CID13365759
Molecular FormulaC15H9NO4
Molecular Weight267.24 g/mol
Exact Mass267.05
IUPAC Name5-(pyridine-3-carbonyl)-1-benzofuran-2-carboxylic acid
SMILESO=C(c1cccnc1)c1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C15H9NO4/c17-14(10-2-1-5-16-8-10)9-3-4-12-11(6-9)7-13(20-12)15(18)19/h1-8H,(H,18,19)
InChIKeyUMHUDRLSQUJGEI-UHFFFAOYSA-N
XLogP2.76
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(pyridine-3-carbonyl)-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-(pyridine-3-carbonyl)-1-benzofuran-2-carboxylic acid (CID 13365759) is 5-(pyridine-3-carbonyl)-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-(pyridine-3-carbonyl)-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-(pyridine-3-carbonyl)-1-benzofuran-2-carboxylic acid is O=C(c1cccnc1)c1ccc2oc(C(=O)O)cc2c1.
What is the InChIKey of 5-(pyridine-3-carbonyl)-1-benzofuran-2-carboxylic acid?
The InChIKey is UMHUDRLSQUJGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO4/c17-14(10-2-1-5-16-8-10)9-3-4-12-11(6-9)7-13(20-12)15(18)19/h1-8H,(H,18,19).
What are the key properties of 5-(pyridine-3-carbonyl)-1-benzofuran-2-carboxylic acid?
5-(pyridine-3-carbonyl)-1-benzofuran-2-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridine-3-carbonyl)-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 13365759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).