2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid

C7H4ClNO2S — CID 10442820

IUPAC2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid
SMILESO=C(O)c1cc2cc(Cl)sc2[nH]1
InChIInChI=1S/C7H4ClNO2S/c8-5-2-3-1-4(7(10)11)9-6(3)12-5/h1-2,9H,(H,10,11)
InChIKeySOGNHUJSAKAIRG-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.58
Rot. Bonds1

About 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid

2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid (PubChem CID 10442820) has the molecular formula C7H4ClNO2S and a molecular weight of 201.63 g/mol. Its IUPAC name is 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid
PubChem CID10442820
Molecular FormulaC7H4ClNO2S
Molecular Weight201.63 g/mol
Exact Mass200.97
IUPAC Name2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid
SMILESO=C(O)c1cc2cc(Cl)sc2[nH]1
InChIInChI=1S/C7H4ClNO2S/c8-5-2-3-1-4(7(10)11)9-6(3)12-5/h1-2,9H,(H,10,11)
InChIKeySOGNHUJSAKAIRG-UHFFFAOYSA-N
XLogP2.58
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid?
The IUPAC name of 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid (CID 10442820) is 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid is O=C(O)c1cc2cc(Cl)sc2[nH]1.
What is the InChIKey of 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid?
The InChIKey is SOGNHUJSAKAIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO2S/c8-5-2-3-1-4(7(10)11)9-6(3)12-5/h1-2,9H,(H,10,11).
What are the key properties of 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid?
2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid has a molecular weight of 201.63 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 10442820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).