5-(2-bromofuran-3-carbonyl)furan-2-carboxylic acid

C10H5BrO5 — CID 106946933

IUPAC5-(2-bromofuran-3-carbonyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)c2ccoc2Br)o1
InChIInChI=1S/C10H5BrO5/c11-9-5(3-4-15-9)8(12)6-1-2-7(16-6)10(13)14/h1-4H,(H,13,14)
InChIKeyAFRSHZBKZCKAGM-UHFFFAOYSA-N
MW285.05 g/mol
LogP2.56
Rot. Bonds3

About 5-(2-bromofuran-3-carbonyl)furan-2-carboxylic acid

5-(2-bromofuran-3-carbonyl)furan-2-carboxylic acid (PubChem CID 106946933) has the molecular formula C10H5BrO5 and a molecular weight of 285.05 g/mol. Its IUPAC name is 5-(2-bromofuran-3-carbonyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-bromofuran-3-carbonyl)furan-2-carboxylic acid
PubChem CID106946933
Molecular FormulaC10H5BrO5
Molecular Weight285.05 g/mol
Exact Mass283.93
IUPAC Name5-(2-bromofuran-3-carbonyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)c2ccoc2Br)o1
InChIInChI=1S/C10H5BrO5/c11-9-5(3-4-15-9)8(12)6-1-2-7(16-6)10(13)14/h1-4H,(H,13,14)
InChIKeyAFRSHZBKZCKAGM-UHFFFAOYSA-N
XLogP2.56
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.05
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromofuran-3-yl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 106851415
furan-2,5-dicarboxylic acid;indigane
CID 174700126
5-(3-bromo-2-fluorobenzoyl)furan-2-carboxylic acid
CID 107957479
5-(5-chlorofuran-2-carbonyl)furan-2-carboxylic acid
CID 106946887
(2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 106851230
(2-bromofuran-3-yl)-(4-butylphenyl)methanone
CID 106851240
furan-2-carboxylic acid;furan-2,5-dicarboxylic acid
CID 158946082
carbon dioxide;furan-2,5-dicarboxylic acid
CID 174931528
(2-bromofuran-3-yl)-(2,4,6-triethylphenyl)methanone
CID 106851399
1-(2-bromofuran-3-yl)-2-(4-fluorophenyl)ethanone
CID 106854606
(2-bromofuran-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 106856635
(2-bromofuran-3-yl)-(3-ethylphenyl)methanone
CID 106856734

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromofuran-3-carbonyl)furan-2-carboxylic acid?
The IUPAC name of 5-(2-bromofuran-3-carbonyl)furan-2-carboxylic acid (CID 106946933) is 5-(2-bromofuran-3-carbonyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2-bromofuran-3-carbonyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(2-bromofuran-3-carbonyl)furan-2-carboxylic acid is O=C(O)c1ccc(C(=O)c2ccoc2Br)o1.
What is the InChIKey of 5-(2-bromofuran-3-carbonyl)furan-2-carboxylic acid?
The InChIKey is AFRSHZBKZCKAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrO5/c11-9-5(3-4-15-9)8(12)6-1-2-7(16-6)10(13)14/h1-4H,(H,13,14).
What are the key properties of 5-(2-bromofuran-3-carbonyl)furan-2-carboxylic acid?
5-(2-bromofuran-3-carbonyl)furan-2-carboxylic acid has a molecular weight of 285.05 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromofuran-3-carbonyl)furan-2-carboxylic acid is sourced from PubChem (CID 106946933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).