5-(4-amino-2-bromophenyl)furan-2-carboxylic acid

C11H8BrNO3 — CID 95911190

IUPAC5-(4-amino-2-bromophenyl)furan-2-carboxylic acid
SMILESNc1ccc(-c2ccc(C(=O)O)o2)c(Br)c1
InChIInChI=1S/C11H8BrNO3/c12-8-5-6(13)1-2-7(8)9-3-4-10(16-9)11(14)15/h1-5H,13H2,(H,14,15)
InChIKeyVFLXTOYEEYIDLS-UHFFFAOYSA-N
MW282.09 g/mol
LogP2.99
Rot. Bonds2

About 5-(4-amino-2-bromophenyl)furan-2-carboxylic acid

5-(4-amino-2-bromophenyl)furan-2-carboxylic acid (PubChem CID 95911190) has the molecular formula C11H8BrNO3 and a molecular weight of 282.09 g/mol. Its IUPAC name is 5-(4-amino-2-bromophenyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-amino-2-bromophenyl)furan-2-carboxylic acid
PubChem CID95911190
Molecular FormulaC11H8BrNO3
Molecular Weight282.09 g/mol
Exact Mass280.97
IUPAC Name5-(4-amino-2-bromophenyl)furan-2-carboxylic acid
SMILESNc1ccc(-c2ccc(C(=O)O)o2)c(Br)c1
InChIInChI=1S/C11H8BrNO3/c12-8-5-6(13)1-2-7(8)9-3-4-10(16-9)11(14)15/h1-5H,13H2,(H,14,15)
InChIKeyVFLXTOYEEYIDLS-UHFFFAOYSA-N
XLogP2.99
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.09
LogP ≤ 52.99
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 5-(4-amino-2-bromophenyl)furan-2-carboxylic acid?
The IUPAC name of 5-(4-amino-2-bromophenyl)furan-2-carboxylic acid (CID 95911190) is 5-(4-amino-2-bromophenyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(4-amino-2-bromophenyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(4-amino-2-bromophenyl)furan-2-carboxylic acid is Nc1ccc(-c2ccc(C(=O)O)o2)c(Br)c1.
What is the InChIKey of 5-(4-amino-2-bromophenyl)furan-2-carboxylic acid?
The InChIKey is VFLXTOYEEYIDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO3/c12-8-5-6(13)1-2-7(8)9-3-4-10(16-9)11(14)15/h1-5H,13H2,(H,14,15).
What are the key properties of 5-(4-amino-2-bromophenyl)furan-2-carboxylic acid?
5-(4-amino-2-bromophenyl)furan-2-carboxylic acid has a molecular weight of 282.09 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-bromophenyl)furan-2-carboxylic acid is sourced from PubChem (CID 95911190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).