URAT1&XO inhibitor 3

Name: URAT1&XO inhibitor 3 — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₈FNO₄ — CID 126667485

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-(5-cyano-2-fluoro-1-benzofuran-7-yl)-2-hydroxybenzoic acid

SMILESN#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2oc(F)cc2c1

InChIInChI=1S/C16H8FNO4/c17-14-6-10-3-8(7-18)4-12(15(10)22-14)9-1-2-11(16(20)21)13(19)5-9/h1-6,19H,(H,20,21)

InChIKeyVBWLCOGQAODFLX-UHFFFAOYSA-N

MW297.24 g/mol

LogP3.51

Rot. Bonds2

About URAT1&XO inhibitor 3

URAT1&XO inhibitor 3 (PubChem CID 126667485) has the molecular formula C₁₆H₈FNO₄ and a molecular weight of 297.24 g/mol. Its IUPAC name is 4-(5-cyano-2-fluoro-1-benzofuran-7-yl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name	URAT1&XO inhibitor 3
PubChem CID	126667485
Molecular Formula	C₁₆H₈FNO₄
Molecular Weight	297.24 g/mol
Exact Mass	297.04
IUPAC Name	4-(5-cyano-2-fluoro-1-benzofuran-7-yl)-2-hydroxybenzoic acid
SMILES	N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2oc(F)cc2c1
InChI	InChI=1S/C16H8FNO4/c17-14-6-10-3-8(7-18)4-12(15(10)22-14)9-1-2-11(16(20)21)13(19)5-9/h1-6,19H,(H,20,21)
InChIKey	VBWLCOGQAODFLX-UHFFFAOYSA-N
XLogP	3.51
TPSA	94.46 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.24
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of URAT1&XO inhibitor 3?

The IUPAC name of URAT1&XO inhibitor 3 (CID 126667485) is 4-(5-cyano-2-fluoro-1-benzofuran-7-yl)-2-hydroxybenzoic acid.

What is the SMILES notation for URAT1&XO inhibitor 3?

The canonical SMILES for URAT1&XO inhibitor 3 is N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2oc(F)cc2c1.

What is the InChIKey of URAT1&XO inhibitor 3?

The InChIKey is VBWLCOGQAODFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8FNO4/c17-14-6-10-3-8(7-18)4-12(15(10)22-14)9-1-2-11(16(20)21)13(19)5-9/h1-6,19H,(H,20,21).

What are the key properties of URAT1&XO inhibitor 3?

URAT1&XO inhibitor 3 has a molecular weight of 297.24 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for URAT1&XO inhibitor 3 is sourced from PubChem (CID 126667485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 126667485 — identifiers, structure, computed properties (public domain)

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