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

C10H5ClO4S — CID 106946948

IUPAC5-(5-chlorothiophene-2-carbonyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)c2ccc(Cl)s2)o1
InChIInChI=1S/C10H5ClO4S/c11-8-4-3-7(16-8)9(12)5-1-2-6(15-5)10(13)14/h1-4H,(H,13,14)
InChIKeyZMOLOGSBIPZLHU-UHFFFAOYSA-N
MW256.67 g/mol
LogP2.92
Rot. Bonds3

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

5-(5-chlorothiophene-2-carbonyl)furan-2-carboxylic acid (PubChem CID 106946948) has the molecular formula C10H5ClO4S and a molecular weight of 256.67 g/mol. Its IUPAC name is 5-(5-chlorothiophene-2-carbonyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(5-chlorothiophene-2-carbonyl)furan-2-carboxylic acid
PubChem CID106946948
Molecular FormulaC10H5ClO4S
Molecular Weight256.67 g/mol
Exact Mass255.96
IUPAC Name5-(5-chlorothiophene-2-carbonyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)c2ccc(Cl)s2)o1
InChIInChI=1S/C10H5ClO4S/c11-8-4-3-7(16-8)9(12)5-1-2-6(15-5)10(13)14/h1-4H,(H,13,14)
InChIKeyZMOLOGSBIPZLHU-UHFFFAOYSA-N
XLogP2.92
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.67
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-chlorofuran-2-carbonyl)furan-2-carboxylic acid
CID 106946887
(7-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methanone
CID 112614526
furan-2,5-dicarboxylic acid;indigane
CID 174700126
2-(5-chlorothiophene-2-carbonyl)-3,6-dimethylbenzoic acid
CID 103430128
carbon dioxide;furan-2,5-dicarboxylic acid
CID 174931528
5-chlorothiophene-2-carbonyl fluoride
CID 119084238
5-(3-chlorobenzoyl)furan-2-carboxylic acid
CID 21387643
(5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanone
CID 114972633
benzene-1,4-diamine;furan-2,5-dicarboxylic acid
CID 160946255
5-(2-bromofuran-3-carbonyl)furan-2-carboxylic acid
CID 106946933
2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethanone
CID 131075408
2-amino-3-(5-chlorothiophen-2-yl)-3-oxopropanoic acid
CID 116920482

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophene-2-carbonyl)furan-2-carboxylic acid?
The IUPAC name of 5-(5-chlorothiophene-2-carbonyl)furan-2-carboxylic acid (CID 106946948) is 5-(5-chlorothiophene-2-carbonyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(5-chlorothiophene-2-carbonyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(5-chlorothiophene-2-carbonyl)furan-2-carboxylic acid is O=C(O)c1ccc(C(=O)c2ccc(Cl)s2)o1.
What is the InChIKey of 5-(5-chlorothiophene-2-carbonyl)furan-2-carboxylic acid?
The InChIKey is ZMOLOGSBIPZLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClO4S/c11-8-4-3-7(16-8)9(12)5-1-2-6(15-5)10(13)14/h1-4H,(H,13,14).
What are the key properties of 5-(5-chlorothiophene-2-carbonyl)furan-2-carboxylic acid?
5-(5-chlorothiophene-2-carbonyl)furan-2-carboxylic acid has a molecular weight of 256.67 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophene-2-carbonyl)furan-2-carboxylic acid is sourced from PubChem (CID 106946948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).