2-(pyridin-3-yloxymethyl)-1-benzofuran-4-carboxylic acid

C15H11NO4 — CID 117172450

IUPAC2-(pyridin-3-yloxymethyl)-1-benzofuran-4-carboxylic acid
SMILESO=C(O)c1cccc2oc(COc3cccnc3)cc12
InChIInChI=1S/C15H11NO4/c17-15(18)12-4-1-5-14-13(12)7-11(20-14)9-19-10-3-2-6-16-8-10/h1-8H,9H2,(H,17,18)
InChIKeyGVTVESYUKVCHMN-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.11
Rot. Bonds4

About 2-(pyridin-3-yloxymethyl)-1-benzofuran-4-carboxylic acid

2-(pyridin-3-yloxymethyl)-1-benzofuran-4-carboxylic acid (PubChem CID 117172450) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(pyridin-3-yloxymethyl)-1-benzofuran-4-carboxylic acid.

Molecular Properties

Compound Name2-(pyridin-3-yloxymethyl)-1-benzofuran-4-carboxylic acid
PubChem CID117172450
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name2-(pyridin-3-yloxymethyl)-1-benzofuran-4-carboxylic acid
SMILESO=C(O)c1cccc2oc(COc3cccnc3)cc12
InChIInChI=1S/C15H11NO4/c17-15(18)12-4-1-5-14-13(12)7-11(20-14)9-19-10-3-2-6-16-8-10/h1-8H,9H2,(H,17,18)
InChIKeyGVTVESYUKVCHMN-UHFFFAOYSA-N
XLogP3.11
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(phenoxymethyl)-1-benzofuran-4-carboxylic acid
CID 117172434
3-[(4-fluoro-1-benzofuran-2-yl)methoxy]pyridine
CID 117172370
2-(pyridin-3-yloxymethyl)-1-benzofuran-7-ol
CID 117182846
2-[(dimethylamino)methyl]-1-benzofuran-4-carboxylic acid
CID 117172424
3-[(5-chloro-1-benzofuran-2-yl)methoxy]pyridine
CID 117175979
3-[(6-bromo-1-benzofuran-2-yl)methoxy]pyridine
CID 117179394
2-iodo-4-(pyridin-3-yloxymethyl)benzoic acid
CID 23436563
2-(pyridin-3-yloxymethyl)pyridine-3,5-dicarboxylic acid;hydrochloride
CID 70438795
3-(pyridin-3-yloxymethyl)-1H-indole-4-carboxylic acid
CID 117171587
2-methoxy-1-benzofuran-4-carboxylic acid
CID 140994741
[2-methyl-5-(pyridin-3-yloxymethyl)furan-3-yl]methanamine
CID 62449563
2-methyl-5-[(3-methylphenoxy)methyl]furan-3-carboxylic acid
CID 43477174

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-yloxymethyl)-1-benzofuran-4-carboxylic acid?
The IUPAC name of 2-(pyridin-3-yloxymethyl)-1-benzofuran-4-carboxylic acid (CID 117172450) is 2-(pyridin-3-yloxymethyl)-1-benzofuran-4-carboxylic acid.
What is the SMILES notation for 2-(pyridin-3-yloxymethyl)-1-benzofuran-4-carboxylic acid?
The canonical SMILES for 2-(pyridin-3-yloxymethyl)-1-benzofuran-4-carboxylic acid is O=C(O)c1cccc2oc(COc3cccnc3)cc12.
What is the InChIKey of 2-(pyridin-3-yloxymethyl)-1-benzofuran-4-carboxylic acid?
The InChIKey is GVTVESYUKVCHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c17-15(18)12-4-1-5-14-13(12)7-11(20-14)9-19-10-3-2-6-16-8-10/h1-8H,9H2,(H,17,18).
What are the key properties of 2-(pyridin-3-yloxymethyl)-1-benzofuran-4-carboxylic acid?
2-(pyridin-3-yloxymethyl)-1-benzofuran-4-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-yloxymethyl)-1-benzofuran-4-carboxylic acid is sourced from PubChem (CID 117172450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).