3-bromo-5-fluoro-7-hydroxy-1-benzofuran-2-carboxamide

C9H5BrFNO3 — CID 68974673

IUPAC3-bromo-5-fluoro-7-hydroxy-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2c(O)cc(F)cc2c1Br
InChIInChI=1S/C9H5BrFNO3/c10-6-4-1-3(11)2-5(13)7(4)15-8(6)9(12)14/h1-2,13H,(H2,12,14)
InChIKeyFCCULUQEINERIY-UHFFFAOYSA-N
MW274.05 g/mol
LogP2.14
Rot. Bonds1

About 3-bromo-5-fluoro-7-hydroxy-1-benzofuran-2-carboxamide

3-bromo-5-fluoro-7-hydroxy-1-benzofuran-2-carboxamide (PubChem CID 68974673) has the molecular formula C9H5BrFNO3 and a molecular weight of 274.05 g/mol. Its IUPAC name is 3-bromo-5-fluoro-7-hydroxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-7-hydroxy-1-benzofuran-2-carboxamide
PubChem CID68974673
Molecular FormulaC9H5BrFNO3
Molecular Weight274.05 g/mol
Exact Mass272.94
IUPAC Name3-bromo-5-fluoro-7-hydroxy-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2c(O)cc(F)cc2c1Br
InChIInChI=1S/C9H5BrFNO3/c10-6-4-1-3(11)2-5(13)7(4)15-8(6)9(12)14/h1-2,13H,(H2,12,14)
InChIKeyFCCULUQEINERIY-UHFFFAOYSA-N
XLogP2.14
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.05
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-7-hydroxy-1-benzofuran-2-carboxamide?
The IUPAC name of 3-bromo-5-fluoro-7-hydroxy-1-benzofuran-2-carboxamide (CID 68974673) is 3-bromo-5-fluoro-7-hydroxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-bromo-5-fluoro-7-hydroxy-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-bromo-5-fluoro-7-hydroxy-1-benzofuran-2-carboxamide is NC(=O)c1oc2c(O)cc(F)cc2c1Br.
What is the InChIKey of 3-bromo-5-fluoro-7-hydroxy-1-benzofuran-2-carboxamide?
The InChIKey is FCCULUQEINERIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrFNO3/c10-6-4-1-3(11)2-5(13)7(4)15-8(6)9(12)14/h1-2,13H,(H2,12,14).
What are the key properties of 3-bromo-5-fluoro-7-hydroxy-1-benzofuran-2-carboxamide?
3-bromo-5-fluoro-7-hydroxy-1-benzofuran-2-carboxamide has a molecular weight of 274.05 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-7-hydroxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 68974673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).