5-(5-bromo-2-fluoroanilino)furan-2-carboxylic acid

C11H7BrFNO3 — CID 55049844

IUPAC5-(5-bromo-2-fluoroanilino)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Nc2cc(Br)ccc2F)o1
InChIInChI=1S/C11H7BrFNO3/c12-6-1-2-7(13)8(5-6)14-10-4-3-9(17-10)11(15)16/h1-5,14H,(H,15,16)
InChIKeyALIKQSFQXPCUFT-UHFFFAOYSA-N
MW300.08 g/mol
LogP3.62
Rot. Bonds3

About 5-(5-bromo-2-fluoroanilino)furan-2-carboxylic acid

5-(5-bromo-2-fluoroanilino)furan-2-carboxylic acid (PubChem CID 55049844) has the molecular formula C11H7BrFNO3 and a molecular weight of 300.08 g/mol. Its IUPAC name is 5-(5-bromo-2-fluoroanilino)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(5-bromo-2-fluoroanilino)furan-2-carboxylic acid
PubChem CID55049844
Molecular FormulaC11H7BrFNO3
Molecular Weight300.08 g/mol
Exact Mass298.96
IUPAC Name5-(5-bromo-2-fluoroanilino)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Nc2cc(Br)ccc2F)o1
InChIInChI=1S/C11H7BrFNO3/c12-6-1-2-7(13)8(5-6)14-10-4-3-9(17-10)11(15)16/h1-5,14H,(H,15,16)
InChIKeyALIKQSFQXPCUFT-UHFFFAOYSA-N
XLogP3.62
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.08
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,4-dichloroanilino)furan-2-carboxylic acid
CID 62204584
5-amino-2-(5-bromo-2-fluoroanilino)benzoic acid
CID 54888186
2-amino-5-(5-bromo-2-fluoroanilino)benzoic acid
CID 55024972
2-amino-6-(5-bromo-2-fluoroanilino)-3-fluorobenzoic acid
CID 83215104
5-[(4-bromophenyl)methylamino]furan-2-carboxylic acid
CID 62206358
2-amino-3-(5-bromo-2-fluoroanilino)-3-oxopropanoic acid
CID 115179141
5-[(3,4-difluorophenyl)methylamino]furan-2-carboxylic acid
CID 62206208
2-amino-3-(5-bromo-2-fluoroanilino)benzoic acid
CID 113332604
2-(5-bromo-2-fluoroanilino)acetic acid
CID 43555633
5-[2-methyl-5-(trifluoromethyl)anilino]furan-2-carboxylic acid
CID 66477754
5-(4-bromo-3-methylanilino)furan-2-carboxylic acid
CID 62206003
5-[(5-bromo-2-fluorophenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 61298881

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-fluoroanilino)furan-2-carboxylic acid?
The IUPAC name of 5-(5-bromo-2-fluoroanilino)furan-2-carboxylic acid (CID 55049844) is 5-(5-bromo-2-fluoroanilino)furan-2-carboxylic acid.
What is the SMILES notation for 5-(5-bromo-2-fluoroanilino)furan-2-carboxylic acid?
The canonical SMILES for 5-(5-bromo-2-fluoroanilino)furan-2-carboxylic acid is O=C(O)c1ccc(Nc2cc(Br)ccc2F)o1.
What is the InChIKey of 5-(5-bromo-2-fluoroanilino)furan-2-carboxylic acid?
The InChIKey is ALIKQSFQXPCUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNO3/c12-6-1-2-7(13)8(5-6)14-10-4-3-9(17-10)11(15)16/h1-5,14H,(H,15,16).
What are the key properties of 5-(5-bromo-2-fluoroanilino)furan-2-carboxylic acid?
5-(5-bromo-2-fluoroanilino)furan-2-carboxylic acid has a molecular weight of 300.08 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-fluoroanilino)furan-2-carboxylic acid is sourced from PubChem (CID 55049844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).