5-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carboxylic acid

C11H7NO3S — CID 115007388

IUPAC5-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc2sc3c(O)cccc3c2[nH]1
InChIInChI=1S/C11H7NO3S/c13-7-3-1-2-5-9-8(16-10(5)7)4-6(12-9)11(14)15/h1-4,12-13H,(H,14,15)
InChIKeyBDCKWJOWPDKILD-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.79
Rot. Bonds1

About 5-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carboxylic acid

5-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carboxylic acid (PubChem CID 115007388) has the molecular formula C11H7NO3S and a molecular weight of 233.25 g/mol. Its IUPAC name is 5-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carboxylic acid
PubChem CID115007388
Molecular FormulaC11H7NO3S
Molecular Weight233.25 g/mol
Exact Mass233.01
IUPAC Name5-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc2sc3c(O)cccc3c2[nH]1
InChIInChI=1S/C11H7NO3S/c13-7-3-1-2-5-9-8(16-10(5)7)4-6(12-9)11(14)15/h1-4,12-13H,(H,14,15)
InChIKeyBDCKWJOWPDKILD-UHFFFAOYSA-N
XLogP2.79
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-hydroxy-2-methyl-1-benzothiophene-3-carboxylic acid
CID 130987097
1H-benzo[g]indole-2-carboxylic acid
CID 645288
4-oxo-8-phenyl-1H-quinoline-2-carboxylic acid
CID 63376604
3-hydroxy-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 91411314
5-fluoro-4H-thieno[3,2-b]indole-2-carboxylic acid
CID 82389520
7-(2-phenylphenyl)-1H-indole-2-carboxylic acid
CID 169084287
4-hydroxy-1-benzothiophene-2-carboxylic acid
CID 84665318
3-(2-phenylethenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
CID 174593850
3-cyclopropyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
CID 135385898
7-(thiophen-2-ylsulfanylamino)-1H-indole-2-carboxylic acid
CID 126635122
4-amino-7-fluoro-1H-indole-2-carboxylic acid
CID 82401505
2-chloro-8-hydroxyquinoline-4-carboxylic acid
CID 115034200

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carboxylic acid?
The IUPAC name of 5-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carboxylic acid (CID 115007388) is 5-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carboxylic acid?
The canonical SMILES for 5-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carboxylic acid is O=C(O)c1cc2sc3c(O)cccc3c2[nH]1.
What is the InChIKey of 5-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carboxylic acid?
The InChIKey is BDCKWJOWPDKILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO3S/c13-7-3-1-2-5-9-8(16-10(5)7)4-6(12-9)11(14)15/h1-4,12-13H,(H,14,15).
What are the key properties of 5-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carboxylic acid?
5-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carboxylic acid has a molecular weight of 233.25 g/mol, XLogP of 2.79, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carboxylic acid is sourced from PubChem (CID 115007388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).