4-amino-5-fluoro-1-benzofuran-2-carboxylic acid

C9H6FNO3 — CID 82373023

IUPAC4-amino-5-fluoro-1-benzofuran-2-carboxylic acid
SMILESNc1c(F)ccc2oc(C(=O)O)cc12
InChIInChI=1S/C9H6FNO3/c10-5-1-2-6-4(8(5)11)3-7(14-6)9(12)13/h1-3H,11H2,(H,12,13)
InChIKeyHLECQRKLWQEKMP-UHFFFAOYSA-N
MW195.15 g/mol
LogP1.85
Rot. Bonds1

About 4-amino-5-fluoro-1-benzofuran-2-carboxylic acid

4-amino-5-fluoro-1-benzofuran-2-carboxylic acid (PubChem CID 82373023) has the molecular formula C9H6FNO3 and a molecular weight of 195.15 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-fluoro-1-benzofuran-2-carboxylic acid
PubChem CID82373023
Molecular FormulaC9H6FNO3
Molecular Weight195.15 g/mol
Exact Mass195.03
IUPAC Name4-amino-5-fluoro-1-benzofuran-2-carboxylic acid
SMILESNc1c(F)ccc2oc(C(=O)O)cc12
InChIInChI=1S/C9H6FNO3/c10-5-1-2-6-4(8(5)11)3-7(14-6)9(12)13/h1-3H,11H2,(H,12,13)
InChIKeyHLECQRKLWQEKMP-UHFFFAOYSA-N
XLogP1.85
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-benzofuran-2-carboxylic acid?
The IUPAC name of 4-amino-5-fluoro-1-benzofuran-2-carboxylic acid (CID 82373023) is 4-amino-5-fluoro-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 4-amino-5-fluoro-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 4-amino-5-fluoro-1-benzofuran-2-carboxylic acid is Nc1c(F)ccc2oc(C(=O)O)cc12.
What is the InChIKey of 4-amino-5-fluoro-1-benzofuran-2-carboxylic acid?
The InChIKey is HLECQRKLWQEKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO3/c10-5-1-2-6-4(8(5)11)3-7(14-6)9(12)13/h1-3H,11H2,(H,12,13).
What are the key properties of 4-amino-5-fluoro-1-benzofuran-2-carboxylic acid?
4-amino-5-fluoro-1-benzofuran-2-carboxylic acid has a molecular weight of 195.15 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 82373023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).