5-phenyl-6H-thieno[2,3-b]pyrrole-2,4-dicarboxylic acid

C14H9NO4S — CID 141109654

IUPAC5-phenyl-6H-thieno[2,3-b]pyrrole-2,4-dicarboxylic acid
SMILESO=C(O)c1cc2c(C(=O)O)c(-c3ccccc3)[nH]c2s1
InChIInChI=1S/C14H9NO4S/c16-13(17)9-6-8-10(14(18)19)11(15-12(8)20-9)7-4-2-1-3-5-7/h1-6,15H,(H,16,17)(H,18,19)
InChIKeyFHODEAKPFRVVJC-UHFFFAOYSA-N
MW287.30 g/mol
LogP3.29
Rot. Bonds3

About 5-phenyl-6H-thieno[2,3-b]pyrrole-2,4-dicarboxylic acid

5-phenyl-6H-thieno[2,3-b]pyrrole-2,4-dicarboxylic acid (PubChem CID 141109654) has the molecular formula C14H9NO4S and a molecular weight of 287.30 g/mol. Its IUPAC name is 5-phenyl-6H-thieno[2,3-b]pyrrole-2,4-dicarboxylic acid.

Molecular Properties

Compound Name5-phenyl-6H-thieno[2,3-b]pyrrole-2,4-dicarboxylic acid
PubChem CID141109654
Molecular FormulaC14H9NO4S
Molecular Weight287.30 g/mol
Exact Mass287.03
IUPAC Name5-phenyl-6H-thieno[2,3-b]pyrrole-2,4-dicarboxylic acid
SMILESO=C(O)c1cc2c(C(=O)O)c(-c3ccccc3)[nH]c2s1
InChIInChI=1S/C14H9NO4S/c16-13(17)9-6-8-10(14(18)19)11(15-12(8)20-9)7-4-2-1-3-5-7/h1-6,15H,(H,16,17)(H,18,19)
InChIKeyFHODEAKPFRVVJC-UHFFFAOYSA-N
XLogP3.29
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-dihydroxy-1-oxo-3-phenyl-2H-isoquinoline-4-carboxylic acid
CID 67908190
5-(4-phenylphenyl)thiophene-2-carboxylic acid
CID 7130760
4-oxo-6-phenylthiopyran-2-carboxylic acid
CID 171384709
5-pyridin-3-yl-6H-thieno[2,3-b]pyrrole-2-carboxylic acid
CID 82385778
7-oxo-4-(3-phenylphenyl)-6H-thieno[2,3-c]pyridine-2-carboxylic acid
CID 58622643
6-oxo-3-phenyl-7H-thieno[2,3-b]pyridine-2-carboxylic acid
CID 21083967
2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid
CID 134324247
4-hydroxy-1-benzothiophene-2-carboxylic acid
CID 84665318
4-formyl-6H-thieno[2,3-b]pyrrole-2-carboxylic acid
CID 96622829
thiophene-2,5-dicarboxylic acid;dihydrochloride
CID 68502106
8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
CID 22480986
3-phenyl-1-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 61264145

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-6H-thieno[2,3-b]pyrrole-2,4-dicarboxylic acid?
The IUPAC name of 5-phenyl-6H-thieno[2,3-b]pyrrole-2,4-dicarboxylic acid (CID 141109654) is 5-phenyl-6H-thieno[2,3-b]pyrrole-2,4-dicarboxylic acid.
What is the SMILES notation for 5-phenyl-6H-thieno[2,3-b]pyrrole-2,4-dicarboxylic acid?
The canonical SMILES for 5-phenyl-6H-thieno[2,3-b]pyrrole-2,4-dicarboxylic acid is O=C(O)c1cc2c(C(=O)O)c(-c3ccccc3)[nH]c2s1.
What is the InChIKey of 5-phenyl-6H-thieno[2,3-b]pyrrole-2,4-dicarboxylic acid?
The InChIKey is FHODEAKPFRVVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO4S/c16-13(17)9-6-8-10(14(18)19)11(15-12(8)20-9)7-4-2-1-3-5-7/h1-6,15H,(H,16,17)(H,18,19).
What are the key properties of 5-phenyl-6H-thieno[2,3-b]pyrrole-2,4-dicarboxylic acid?
5-phenyl-6H-thieno[2,3-b]pyrrole-2,4-dicarboxylic acid has a molecular weight of 287.30 g/mol, XLogP of 3.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-6H-thieno[2,3-b]pyrrole-2,4-dicarboxylic acid is sourced from PubChem (CID 141109654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).