4-(5-cyano-2-fluoro-1-benzofuran-7-yl)-2-hydroxybenzoic acid

C16H8FNO4 — CID 126667485

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 4-(5-cyano-2-fluoro-1-benzofuran-7-yl)-2-hydroxybenzoic acid

4-(5-cyano-2-fluoro-1-benzofuran-7-yl)-2-hydroxybenzoic acid (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 Name4-(5-cyano-2-fluoro-1-benzofuran-7-yl)-2-hydroxybenzoic acid
PubChem CID126667485
Molecular FormulaC16H8FNO4
Molecular Weight297.24 g/mol
Exact Mass297.04
IUPAC Name4-(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
XLogP3.51
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-2-fluoro-1-benzofuran-7-yl)-2-hydroxybenzoic acid?
The IUPAC name of 4-(5-cyano-2-fluoro-1-benzofuran-7-yl)-2-hydroxybenzoic acid (CID 126667485) is 4-(5-cyano-2-fluoro-1-benzofuran-7-yl)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(5-cyano-2-fluoro-1-benzofuran-7-yl)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(5-cyano-2-fluoro-1-benzofuran-7-yl)-2-hydroxybenzoic acid is N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2oc(F)cc2c1.
What is the InChIKey of 4-(5-cyano-2-fluoro-1-benzofuran-7-yl)-2-hydroxybenzoic acid?
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 4-(5-cyano-2-fluoro-1-benzofuran-7-yl)-2-hydroxybenzoic acid?
4-(5-cyano-2-fluoro-1-benzofuran-7-yl)-2-hydroxybenzoic acid 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 4-(5-cyano-2-fluoro-1-benzofuran-7-yl)-2-hydroxybenzoic acid is sourced from PubChem (CID 126667485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).