3-(2,5-dichlorophenyl)thiophene-2-carboxylic acid

C11H6Cl2O2S — CID 63798371

IUPAC3-(2,5-dichlorophenyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H6Cl2O2S/c12-6-1-2-9(13)8(5-6)7-3-4-16-10(7)11(14)15/h1-5H,(H,14,15)
InChIKeyOGWPDTUPARJMCU-UHFFFAOYSA-N
MW273.14 g/mol
LogP4.42
Rot. Bonds2

About 3-(2,5-dichlorophenyl)thiophene-2-carboxylic acid

3-(2,5-dichlorophenyl)thiophene-2-carboxylic acid (PubChem CID 63798371) has the molecular formula C11H6Cl2O2S and a molecular weight of 273.14 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)thiophene-2-carboxylic acid
PubChem CID63798371
Molecular FormulaC11H6Cl2O2S
Molecular Weight273.14 g/mol
Exact Mass271.95
IUPAC Name3-(2,5-dichlorophenyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H6Cl2O2S/c12-6-1-2-9(13)8(5-6)7-3-4-16-10(7)11(14)15/h1-5H,(H,14,15)
InChIKeyOGWPDTUPARJMCU-UHFFFAOYSA-N
XLogP4.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(2,5-dichlorophenyl)benzoic acid
CID 39233778
3-(2,4-difluorophenyl)thiophene-2-carboxylic acid
CID 63797013
3-[(2,5-dichlorophenyl)sulfanylmethyl]thiophene-2-carboxylic acid
CID 63639502
bis[3-(2-chloro-5-nitrophenyl)thiophen-2-yl]methanone
CID 88595016
3-[2-(2,5-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63336099
3-(2,5-dichlorophenyl)pyridine-4-carboxylic acid
CID 53224000
methyl 3-(2,4,5-trichlorophenyl)thiophene-2-carboxylate
CID 134634500
3-(4-bromothiophen-3-yl)thiophene-2-carboxylic acid
CID 79602772
3-(2,5-dichlorophenyl)-4-fluorobenzoyl chloride
CID 134618190
2-chloro-4-(2,5-dichlorophenyl)benzoic acid
CID 53227705
4-cyclopropyl-2-(2,5-dichlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 114076223
5-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211132

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(2,5-dichlorophenyl)thiophene-2-carboxylic acid (CID 63798371) is 3-(2,5-dichlorophenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(2,5-dichlorophenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(2,5-dichlorophenyl)thiophene-2-carboxylic acid is O=C(O)c1sccc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-(2,5-dichlorophenyl)thiophene-2-carboxylic acid?
The InChIKey is OGWPDTUPARJMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2O2S/c12-6-1-2-9(13)8(5-6)7-3-4-16-10(7)11(14)15/h1-5H,(H,14,15).
What are the key properties of 3-(2,5-dichlorophenyl)thiophene-2-carboxylic acid?
3-(2,5-dichlorophenyl)thiophene-2-carboxylic acid has a molecular weight of 273.14 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 63798371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).