7-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carbaldehyde

C11H7NO2S — CID 115007560

IUPAC7-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carbaldehyde
SMILESO=Cc1cc2sc3ccc(O)cc3c2[nH]1
InChIInChI=1S/C11H7NO2S/c13-5-6-3-10-11(12-6)8-4-7(14)1-2-9(8)15-10/h1-5,12,14H
InChIKeyLZQJWXXSYVWWQJ-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.90
Rot. Bonds1

About 7-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carbaldehyde

7-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carbaldehyde (PubChem CID 115007560) has the molecular formula C11H7NO2S and a molecular weight of 217.25 g/mol. Its IUPAC name is 7-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name7-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carbaldehyde
PubChem CID115007560
Molecular FormulaC11H7NO2S
Molecular Weight217.25 g/mol
Exact Mass217.02
IUPAC Name7-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carbaldehyde
SMILESO=Cc1cc2sc3ccc(O)cc3c2[nH]1
InChIInChI=1S/C11H7NO2S/c13-5-6-3-10-11(12-6)8-4-7(14)1-2-9(8)15-10/h1-5,12,14H
InChIKeyLZQJWXXSYVWWQJ-UHFFFAOYSA-N
XLogP2.90
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-1H-[1]benzothiolo[3,2-b]pyrrole-2-carbaldehyde
CID 115007433
6-hydroxy-1H-indole-2-carbaldehyde
CID 82415497
5-hydroxy-1,3-benzothiazole-2-carbaldehyde
CID 82409673
3-methyl-2-propan-2-yl-1-benzothiophen-5-ol
CID 58448893
3-bromo-5-hydroxy-1-benzothiophene-2-carboxylic acid
CID 84809916
5-hydroxy-2-methylsulfanyl-1H-indole-3-carbaldehyde
CID 10512519
5-hydroxy-2-iodo-1-benzothiophene-3-carboxylic acid
CID 130913412
6-hydroxy-3-sulfanyl-1-benzothiophene-2-carbaldehyde
CID 131196551
7-hydroxy-1-methyl-[1]benzothiolo[3,2-b]pyrrole-2-carboxylic acid
CID 115007566
2-amino-2-(5-hydroxy-2-methyl-1-benzothiophen-3-yl)acetic acid
CID 115072967
2-amino-3-nitro-1-benzothiophen-5-ol
CID 131031307
6-hydroxy-3-methylsulfanyl-1-benzothiophene-2-carbaldehyde
CID 131122804

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carbaldehyde?
The IUPAC name of 7-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carbaldehyde (CID 115007560) is 7-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carbaldehyde.
What is the SMILES notation for 7-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carbaldehyde?
The canonical SMILES for 7-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carbaldehyde is O=Cc1cc2sc3ccc(O)cc3c2[nH]1.
What is the InChIKey of 7-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carbaldehyde?
The InChIKey is LZQJWXXSYVWWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO2S/c13-5-6-3-10-11(12-6)8-4-7(14)1-2-9(8)15-10/h1-5,12,14H.
What are the key properties of 7-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carbaldehyde?
7-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carbaldehyde has a molecular weight of 217.25 g/mol, XLogP of 2.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carbaldehyde is sourced from PubChem (CID 115007560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).