5-pyridin-3-yloxy-1-benzofuran-2-carboxylic acid

C14H9NO4 — CID 13343422

IUPAC5-pyridin-3-yloxy-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2cc(Oc3cccnc3)ccc2o1
InChIInChI=1S/C14H9NO4/c16-14(17)13-7-9-6-10(3-4-12(9)19-13)18-11-2-1-5-15-8-11/h1-8H,(H,16,17)
InChIKeyJOBZPOMCTKSJAV-UHFFFAOYSA-N
MW255.23 g/mol
LogP3.32
Rot. Bonds3

About 5-pyridin-3-yloxy-1-benzofuran-2-carboxylic acid

5-pyridin-3-yloxy-1-benzofuran-2-carboxylic acid (PubChem CID 13343422) has the molecular formula C14H9NO4 and a molecular weight of 255.23 g/mol. Its IUPAC name is 5-pyridin-3-yloxy-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-pyridin-3-yloxy-1-benzofuran-2-carboxylic acid
PubChem CID13343422
Molecular FormulaC14H9NO4
Molecular Weight255.23 g/mol
Exact Mass255.05
IUPAC Name5-pyridin-3-yloxy-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2cc(Oc3cccnc3)ccc2o1
InChIInChI=1S/C14H9NO4/c16-14(17)13-7-9-6-10(3-4-12(9)19-13)18-11-2-1-5-15-8-11/h1-8H,(H,16,17)
InChIKeyJOBZPOMCTKSJAV-UHFFFAOYSA-N
XLogP3.32
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-pyridin-3-yloxybenzoic acid
CID 22261667
5-butoxy-1-benzofuran-2-carboxylic acid
CID 67998736
5-(2-oxopropoxy)-1-benzofuran-2-carboxylic acid
CID 169229514
6-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid
CID 13365788
5-[(dimethylamino)methoxy]-1-benzofuran-2-carboxylic acid
CID 142789197
benzo[f][1]benzofuran-2-carboxylic acid
CID 21450579
5-nitroso-1-benzofuran-2-carboxylic acid
CID 88894319
CID 89093866
CID 89093866
1-benzofuran-2-yl-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 90566033
SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE
CID 126957561
2-pyridin-3-yl-1-benzofuran-5-carboxylic acid
CID 66865227
1-(4-pyridin-3-yloxyphenyl)ethanone
CID 3016094

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yloxy-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-pyridin-3-yloxy-1-benzofuran-2-carboxylic acid (CID 13343422) is 5-pyridin-3-yloxy-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-pyridin-3-yloxy-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-pyridin-3-yloxy-1-benzofuran-2-carboxylic acid is O=C(O)c1cc2cc(Oc3cccnc3)ccc2o1.
What is the InChIKey of 5-pyridin-3-yloxy-1-benzofuran-2-carboxylic acid?
The InChIKey is JOBZPOMCTKSJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO4/c16-14(17)13-7-9-6-10(3-4-12(9)19-13)18-11-2-1-5-15-8-11/h1-8H,(H,16,17).
What are the key properties of 5-pyridin-3-yloxy-1-benzofuran-2-carboxylic acid?
5-pyridin-3-yloxy-1-benzofuran-2-carboxylic acid has a molecular weight of 255.23 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yloxy-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 13343422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).