2-anilino-4-hydroxyfuran-3-carboxylic acid

C11H9NO4 — CID 54446573

IUPAC2-anilino-4-hydroxyfuran-3-carboxylic acid
SMILESO=C(O)c1c(O)coc1Nc1ccccc1
InChIInChI=1S/C11H9NO4/c13-8-6-16-10(9(8)11(14)15)12-7-4-2-1-3-5-7/h1-6,12-13H,(H,14,15)
InChIKeyWRXYVEQGHZKDOM-UHFFFAOYSA-N
MW219.20 g/mol
LogP2.43
Rot. Bonds3

About 2-anilino-4-hydroxyfuran-3-carboxylic acid

2-anilino-4-hydroxyfuran-3-carboxylic acid (PubChem CID 54446573) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-anilino-4-hydroxyfuran-3-carboxylic acid.

Molecular Properties

Compound Name2-anilino-4-hydroxyfuran-3-carboxylic acid
PubChem CID54446573
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name2-anilino-4-hydroxyfuran-3-carboxylic acid
SMILESO=C(O)c1c(O)coc1Nc1ccccc1
InChIInChI=1S/C11H9NO4/c13-8-6-16-10(9(8)11(14)15)12-7-4-2-1-3-5-7/h1-6,12-13H,(H,14,15)
InChIKeyWRXYVEQGHZKDOM-UHFFFAOYSA-N
XLogP2.43
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-hydroxyfuran-3-carboxylic acid?
The IUPAC name of 2-anilino-4-hydroxyfuran-3-carboxylic acid (CID 54446573) is 2-anilino-4-hydroxyfuran-3-carboxylic acid.
What is the SMILES notation for 2-anilino-4-hydroxyfuran-3-carboxylic acid?
The canonical SMILES for 2-anilino-4-hydroxyfuran-3-carboxylic acid is O=C(O)c1c(O)coc1Nc1ccccc1.
What is the InChIKey of 2-anilino-4-hydroxyfuran-3-carboxylic acid?
The InChIKey is WRXYVEQGHZKDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c13-8-6-16-10(9(8)11(14)15)12-7-4-2-1-3-5-7/h1-6,12-13H,(H,14,15).
What are the key properties of 2-anilino-4-hydroxyfuran-3-carboxylic acid?
2-anilino-4-hydroxyfuran-3-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-hydroxyfuran-3-carboxylic acid is sourced from PubChem (CID 54446573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).