3-chlorothiophene-2-carboxylic acid

C5H3ClO2S — CID 701269

IUPAC3-chlorothiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1Cl
InChIInChI=1S/C5H3ClO2S/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H,7,8)
InChIKeyBXEAAHIHFFIMIE-UHFFFAOYSA-N
MW162.60 g/mol
LogP2.10
Rot. Bonds1

About 3-chlorothiophene-2-carboxylic acid

3-chlorothiophene-2-carboxylic acid (PubChem CID 701269) has the molecular formula C5H3ClO2S and a molecular weight of 162.60 g/mol. Its IUPAC name is 3-chlorothiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-chlorothiophene-2-carboxylic acid
PubChem CID701269
Molecular FormulaC5H3ClO2S
Molecular Weight162.60 g/mol
Exact Mass161.95
IUPAC Name3-chlorothiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1Cl
InChIInChI=1S/C5H3ClO2S/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H,7,8)
InChIKeyBXEAAHIHFFIMIE-UHFFFAOYSA-N
XLogP2.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.60
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Thiophenecarboxylic acid
CID 10700
5-Chloro-2-thiophenecarboxylic acid
CID 95048
5-(Methylsulfanyl)thiophene-2-carboxylic acid
CID 714372
Thiophene-2-carboxylate
CID 5017639
4,5-Dichlorothiophene-2-carboxylic acid
CID 305687
5-Fluorothiophene-2-carboxylic acid
CID 11804901
3-Fluoro-2-thiophenecarboxylic Acid
CID 819050
3-Bromothiophene-2-carboxylic acid
CID 2739688
Methyl 3-chlorothiophene-2-carboxylate
CID 2777566
3-Chloro-4-(methylsulfonyl)thiophene-2-carboxylic acid
CID 2735776
3-iodothiophene-2-carboxylic Acid
CID 2759376
5-Iodothiophene-2-carboxylic acid
CID 12586613

Frequently Asked Questions

What is the IUPAC name of 3-chlorothiophene-2-carboxylic acid?
The IUPAC name of 3-chlorothiophene-2-carboxylic acid (CID 701269) is 3-chlorothiophene-2-carboxylic acid.
What is the SMILES notation for 3-chlorothiophene-2-carboxylic acid?
The canonical SMILES for 3-chlorothiophene-2-carboxylic acid is O=C(O)c1sccc1Cl.
What is the InChIKey of 3-chlorothiophene-2-carboxylic acid?
The InChIKey is BXEAAHIHFFIMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClO2S/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H,7,8).
What are the key properties of 3-chlorothiophene-2-carboxylic acid?
3-chlorothiophene-2-carboxylic acid has a molecular weight of 162.60 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorothiophene-2-carboxylic acid is sourced from PubChem (CID 701269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).