6-formyl-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid

C9H7NO3S — CID 3769666

IUPAC6-formyl-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
SMILESCc1cc2[nH]c(C(=O)O)c(C=O)c2s1
InChIInChI=1S/C9H7NO3S/c1-4-2-6-8(14-4)5(3-11)7(10-6)9(12)13/h2-3,10H,1H3,(H,12,13)
InChIKeyUIXMSKWGNJIRTA-UHFFFAOYSA-N
MW209.23 g/mol
LogP2.05
Rot. Bonds2

About 6-formyl-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid

6-formyl-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 3769666) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is 6-formyl-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name6-formyl-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
PubChem CID3769666
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Name6-formyl-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
SMILESCc1cc2[nH]c(C(=O)O)c(C=O)c2s1
InChIInChI=1S/C9H7NO3S/c1-4-2-6-8(14-4)5(3-11)7(10-6)9(12)13/h2-3,10H,1H3,(H,12,13)
InChIKeyUIXMSKWGNJIRTA-UHFFFAOYSA-N
XLogP2.05
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-formyl-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 6-formyl-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (CID 3769666) is 6-formyl-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 6-formyl-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 6-formyl-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid is Cc1cc2[nH]c(C(=O)O)c(C=O)c2s1.
What is the InChIKey of 6-formyl-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is UIXMSKWGNJIRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S/c1-4-2-6-8(14-4)5(3-11)7(10-6)9(12)13/h2-3,10H,1H3,(H,12,13).
What are the key properties of 6-formyl-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid?
6-formyl-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 209.23 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-formyl-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 3769666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).