4,5-dichloro-3-hydroxythiophene-2-carboxylic acid

C5H2Cl2O3S — CID 101043831

IUPAC4,5-dichloro-3-hydroxythiophene-2-carboxylic acid
SMILESO=C(O)c1sc(Cl)c(Cl)c1O
InChIInChI=1S/C5H2Cl2O3S/c6-1-2(8)3(5(9)10)11-4(1)7/h8H,(H,9,10)
InChIKeyUOWAGVBRYOWANR-UHFFFAOYSA-N
MW213.04 g/mol
LogP2.46
Rot. Bonds1

About 4,5-dichloro-3-hydroxythiophene-2-carboxylic acid

4,5-dichloro-3-hydroxythiophene-2-carboxylic acid (PubChem CID 101043831) has the molecular formula C5H2Cl2O3S and a molecular weight of 213.04 g/mol. Its IUPAC name is 4,5-dichloro-3-hydroxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name4,5-dichloro-3-hydroxythiophene-2-carboxylic acid
PubChem CID101043831
Molecular FormulaC5H2Cl2O3S
Molecular Weight213.04 g/mol
Exact Mass211.91
IUPAC Name4,5-dichloro-3-hydroxythiophene-2-carboxylic acid
SMILESO=C(O)c1sc(Cl)c(Cl)c1O
InChIInChI=1S/C5H2Cl2O3S/c6-1-2(8)3(5(9)10)11-4(1)7/h8H,(H,9,10)
InChIKeyUOWAGVBRYOWANR-UHFFFAOYSA-N
XLogP2.46
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.04
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-3-hydroxythiophene-2-carboxylic acid?
The IUPAC name of 4,5-dichloro-3-hydroxythiophene-2-carboxylic acid (CID 101043831) is 4,5-dichloro-3-hydroxythiophene-2-carboxylic acid.
What is the SMILES notation for 4,5-dichloro-3-hydroxythiophene-2-carboxylic acid?
The canonical SMILES for 4,5-dichloro-3-hydroxythiophene-2-carboxylic acid is O=C(O)c1sc(Cl)c(Cl)c1O.
What is the InChIKey of 4,5-dichloro-3-hydroxythiophene-2-carboxylic acid?
The InChIKey is UOWAGVBRYOWANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2O3S/c6-1-2(8)3(5(9)10)11-4(1)7/h8H,(H,9,10).
What are the key properties of 4,5-dichloro-3-hydroxythiophene-2-carboxylic acid?
4,5-dichloro-3-hydroxythiophene-2-carboxylic acid has a molecular weight of 213.04 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-3-hydroxythiophene-2-carboxylic acid is sourced from PubChem (CID 101043831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).