2-(4-aminophenyl)furan-3-carboxylic acid

C11H9NO3 — CID 22177208

IUPAC2-(4-aminophenyl)furan-3-carboxylic acid
SMILESNc1ccc(-c2occc2C(=O)O)cc1
InChIInChI=1S/C11H9NO3/c12-8-3-1-7(2-4-8)10-9(11(13)14)5-6-15-10/h1-6H,12H2,(H,13,14)
InChIKeyMFOBHOCVMLQUSI-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.23
Rot. Bonds2

About 2-(4-aminophenyl)furan-3-carboxylic acid

2-(4-aminophenyl)furan-3-carboxylic acid (PubChem CID 22177208) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-(4-aminophenyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-aminophenyl)furan-3-carboxylic acid
PubChem CID22177208
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-(4-aminophenyl)furan-3-carboxylic acid
SMILESNc1ccc(-c2occc2C(=O)O)cc1
InChIInChI=1S/C11H9NO3/c12-8-3-1-7(2-4-8)10-9(11(13)14)5-6-15-10/h1-6H,12H2,(H,13,14)
InChIKeyMFOBHOCVMLQUSI-UHFFFAOYSA-N
XLogP2.23
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.23
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 2-(4-aminophenyl)furan-3-carboxylic acid?
The IUPAC name of 2-(4-aminophenyl)furan-3-carboxylic acid (CID 22177208) is 2-(4-aminophenyl)furan-3-carboxylic acid.
What is the SMILES notation for 2-(4-aminophenyl)furan-3-carboxylic acid?
The canonical SMILES for 2-(4-aminophenyl)furan-3-carboxylic acid is Nc1ccc(-c2occc2C(=O)O)cc1.
What is the InChIKey of 2-(4-aminophenyl)furan-3-carboxylic acid?
The InChIKey is MFOBHOCVMLQUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c12-8-3-1-7(2-4-8)10-9(11(13)14)5-6-15-10/h1-6H,12H2,(H,13,14).
What are the key properties of 2-(4-aminophenyl)furan-3-carboxylic acid?
2-(4-aminophenyl)furan-3-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)furan-3-carboxylic acid is sourced from PubChem (CID 22177208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).