5-(2-bromo-4-chloroanilino)furan-2-carboxylic acid

C11H7BrClNO3 — CID 81270530

IUPAC5-(2-bromo-4-chloroanilino)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Nc2ccc(Cl)cc2Br)o1
InChIInChI=1S/C11H7BrClNO3/c12-7-5-6(13)1-2-8(7)14-10-4-3-9(17-10)11(15)16/h1-5,14H,(H,15,16)
InChIKeyUHXRDGRZWPHUCX-UHFFFAOYSA-N
MW316.54 g/mol
LogP4.14
Rot. Bonds3

About 5-(2-bromo-4-chloroanilino)furan-2-carboxylic acid

5-(2-bromo-4-chloroanilino)furan-2-carboxylic acid (PubChem CID 81270530) has the molecular formula C11H7BrClNO3 and a molecular weight of 316.54 g/mol. Its IUPAC name is 5-(2-bromo-4-chloroanilino)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-bromo-4-chloroanilino)furan-2-carboxylic acid
PubChem CID81270530
Molecular FormulaC11H7BrClNO3
Molecular Weight316.54 g/mol
Exact Mass314.93
IUPAC Name5-(2-bromo-4-chloroanilino)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Nc2ccc(Cl)cc2Br)o1
InChIInChI=1S/C11H7BrClNO3/c12-7-5-6(13)1-2-8(7)14-10-4-3-9(17-10)11(15)16/h1-5,14H,(H,15,16)
InChIKeyUHXRDGRZWPHUCX-UHFFFAOYSA-N
XLogP4.14
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.54
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-chloroanilino)furan-2-carboxylic acid?
The IUPAC name of 5-(2-bromo-4-chloroanilino)furan-2-carboxylic acid (CID 81270530) is 5-(2-bromo-4-chloroanilino)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2-bromo-4-chloroanilino)furan-2-carboxylic acid?
The canonical SMILES for 5-(2-bromo-4-chloroanilino)furan-2-carboxylic acid is O=C(O)c1ccc(Nc2ccc(Cl)cc2Br)o1.
What is the InChIKey of 5-(2-bromo-4-chloroanilino)furan-2-carboxylic acid?
The InChIKey is UHXRDGRZWPHUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClNO3/c12-7-5-6(13)1-2-8(7)14-10-4-3-9(17-10)11(15)16/h1-5,14H,(H,15,16).
What are the key properties of 5-(2-bromo-4-chloroanilino)furan-2-carboxylic acid?
5-(2-bromo-4-chloroanilino)furan-2-carboxylic acid has a molecular weight of 316.54 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-chloroanilino)furan-2-carboxylic acid is sourced from PubChem (CID 81270530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).