5-(5-chlorofuran-2-carbonyl)furan-2-carboxylic acid

C10H5ClO5 — CID 106946887

IUPAC5-(5-chlorofuran-2-carbonyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)c2ccc(Cl)o2)o1
InChIInChI=1S/C10H5ClO5/c11-8-4-3-6(16-8)9(12)5-1-2-7(15-5)10(13)14/h1-4H,(H,13,14)
InChIKeyYLWVTBOKYJXWTB-UHFFFAOYSA-N
MW240.60 g/mol
LogP2.46
Rot. Bonds3

About 5-(5-chlorofuran-2-carbonyl)furan-2-carboxylic acid

5-(5-chlorofuran-2-carbonyl)furan-2-carboxylic acid (PubChem CID 106946887) has the molecular formula C10H5ClO5 and a molecular weight of 240.60 g/mol. Its IUPAC name is 5-(5-chlorofuran-2-carbonyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(5-chlorofuran-2-carbonyl)furan-2-carboxylic acid
PubChem CID106946887
Molecular FormulaC10H5ClO5
Molecular Weight240.60 g/mol
Exact Mass239.98
IUPAC Name5-(5-chlorofuran-2-carbonyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)c2ccc(Cl)o2)o1
InChIInChI=1S/C10H5ClO5/c11-8-4-3-6(16-8)9(12)5-1-2-7(15-5)10(13)14/h1-4H,(H,13,14)
InChIKeyYLWVTBOKYJXWTB-UHFFFAOYSA-N
XLogP2.46
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.60
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2,5-dicarboxylic acid;indigane
CID 174700126
5-[(5-chlorofuran-2-yl)-hydroxymethyl]furan-2-carboxylic acid
CID 106947249
(5-chlorofuran-2-yl)-(5-ethylfuran-2-yl)methanone
CID 106683821
carbon dioxide;furan-2,5-dicarboxylic acid
CID 174931528
5-(5-chlorothiophene-2-carbonyl)furan-2-carboxylic acid
CID 106946948
5-(3-chlorobenzoyl)furan-2-carboxylic acid
CID 21387643
disodium bis(5-chlorofuran-2-carboxylate)
CID 159781926
(2-aminophenyl)-(5-chlorofuran-2-yl)methanone
CID 105478534
(5-chlorofuran-2-yl)-(3,5-difluorophenyl)methanone
CID 106690978
benzene-1,4-diamine;furan-2,5-dicarboxylic acid
CID 160946255
5-carboxyfuran-2-olate
CID 145013315
5-(2-bromofuran-3-carbonyl)furan-2-carboxylic acid
CID 106946933

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorofuran-2-carbonyl)furan-2-carboxylic acid?
The IUPAC name of 5-(5-chlorofuran-2-carbonyl)furan-2-carboxylic acid (CID 106946887) is 5-(5-chlorofuran-2-carbonyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(5-chlorofuran-2-carbonyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(5-chlorofuran-2-carbonyl)furan-2-carboxylic acid is O=C(O)c1ccc(C(=O)c2ccc(Cl)o2)o1.
What is the InChIKey of 5-(5-chlorofuran-2-carbonyl)furan-2-carboxylic acid?
The InChIKey is YLWVTBOKYJXWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClO5/c11-8-4-3-6(16-8)9(12)5-1-2-7(15-5)10(13)14/h1-4H,(H,13,14).
What are the key properties of 5-(5-chlorofuran-2-carbonyl)furan-2-carboxylic acid?
5-(5-chlorofuran-2-carbonyl)furan-2-carboxylic acid has a molecular weight of 240.60 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorofuran-2-carbonyl)furan-2-carboxylic acid is sourced from PubChem (CID 106946887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).