4-(3-carboxy-5-chlorophenyl)thiophene-2-carboxylic acid

C12H7ClO4S — CID 53226840

IUPAC4-(3-carboxy-5-chlorophenyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(Cl)cc(-c2csc(C(=O)O)c2)c1
InChIInChI=1S/C12H7ClO4S/c13-9-2-6(1-7(3-9)11(14)15)8-4-10(12(16)17)18-5-8/h1-5H,(H,14,15)(H,16,17)
InChIKeyZOOCPOBXSPBURW-UHFFFAOYSA-N
MW282.70 g/mol
LogP3.46
Rot. Bonds3

About 4-(3-carboxy-5-chlorophenyl)thiophene-2-carboxylic acid

4-(3-carboxy-5-chlorophenyl)thiophene-2-carboxylic acid (PubChem CID 53226840) has the molecular formula C12H7ClO4S and a molecular weight of 282.70 g/mol. Its IUPAC name is 4-(3-carboxy-5-chlorophenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-carboxy-5-chlorophenyl)thiophene-2-carboxylic acid
PubChem CID53226840
Molecular FormulaC12H7ClO4S
Molecular Weight282.70 g/mol
Exact Mass281.98
IUPAC Name4-(3-carboxy-5-chlorophenyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(Cl)cc(-c2csc(C(=O)O)c2)c1
InChIInChI=1S/C12H7ClO4S/c13-9-2-6(1-7(3-9)11(14)15)8-4-10(12(16)17)18-5-8/h1-5H,(H,14,15)(H,16,17)
InChIKeyZOOCPOBXSPBURW-UHFFFAOYSA-N
XLogP3.46
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.70
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-carboxy-5-chlorophenyl)benzene-1,3-dicarboxylic acid
CID 53228361
3,5-dichlorobenzoic acid;hydrochloride
CID 70357109
4-(4-fluorophenyl)thiophene-2-carboxylic acid
CID 46313145
4-(4-bromophenyl)thiophene-2-carboxylic acid
CID 2757170
4-[3-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
CID 53222060
methyl 4-(3-chloro-5-hydroxyphenyl)thiophene-2-carboxylate
CID 53221429
3-chloro-5-(3-hydroxyphenyl)benzoic acid
CID 53224975
3-chloro-5-(5-chlorothiophen-2-yl)benzoic acid
CID 107957397
3-chloro-5-(furan-3-yl)benzoic acid
CID 107957228
3-chloro-5-naphthalen-2-ylbenzoic acid
CID 53226810
3-chloro-5-(2,4-dichlorophenyl)benzoic acid
CID 53227684
benzene;5-(3,5-dicarboxyphenyl)benzene-1,3-dicarboxylic acid
CID 175078023

Frequently Asked Questions

What is the IUPAC name of 4-(3-carboxy-5-chlorophenyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-(3-carboxy-5-chlorophenyl)thiophene-2-carboxylic acid (CID 53226840) is 4-(3-carboxy-5-chlorophenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(3-carboxy-5-chlorophenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(3-carboxy-5-chlorophenyl)thiophene-2-carboxylic acid is O=C(O)c1cc(Cl)cc(-c2csc(C(=O)O)c2)c1.
What is the InChIKey of 4-(3-carboxy-5-chlorophenyl)thiophene-2-carboxylic acid?
The InChIKey is ZOOCPOBXSPBURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClO4S/c13-9-2-6(1-7(3-9)11(14)15)8-4-10(12(16)17)18-5-8/h1-5H,(H,14,15)(H,16,17).
What are the key properties of 4-(3-carboxy-5-chlorophenyl)thiophene-2-carboxylic acid?
4-(3-carboxy-5-chlorophenyl)thiophene-2-carboxylic acid has a molecular weight of 282.70 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carboxy-5-chlorophenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 53226840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).