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

C12H8N2O2S — CID 82385778

IUPAC5-pyridin-3-yl-6H-thieno[2,3-b]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(-c3cccnc3)[nH]c2s1
InChIInChI=1S/C12H8N2O2S/c15-12(16)10-5-8-4-9(14-11(8)17-10)7-2-1-3-13-6-7/h1-6,14H,(H,15,16)
InChIKeyOYPROAPWOCLNJK-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.99
Rot. Bonds2

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

5-pyridin-3-yl-6H-thieno[2,3-b]pyrrole-2-carboxylic acid (PubChem CID 82385778) has the molecular formula C12H8N2O2S and a molecular weight of 244.28 g/mol. Its IUPAC name is 5-pyridin-3-yl-6H-thieno[2,3-b]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-pyridin-3-yl-6H-thieno[2,3-b]pyrrole-2-carboxylic acid
PubChem CID82385778
Molecular FormulaC12H8N2O2S
Molecular Weight244.28 g/mol
Exact Mass244.03
IUPAC Name5-pyridin-3-yl-6H-thieno[2,3-b]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(-c3cccnc3)[nH]c2s1
InChIInChI=1S/C12H8N2O2S/c15-12(16)10-5-8-4-9(14-11(8)17-10)7-2-1-3-13-6-7/h1-6,14H,(H,15,16)
InChIKeyOYPROAPWOCLNJK-UHFFFAOYSA-N
XLogP2.99
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-pyridin-3-yl-1-benzothiophene-2-carboxylic acid
CID 59335660
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CID 606677
2-pyridin-3-yl-1H-indole;hydrochloride
CID 159150480
4-methylsulfanyl-2-oxo-6-pyridin-3-yl-1H-pyridine-3-carboxylic acid
CID 102087393
2-pyridin-3-yl-1,3-benzothiazole-6-carboxylic acid
CID 39105580
2-(carbamoylamino)-5-pyridin-3-yl-1H-pyrrole-3-carboxamide
CID 59285878
3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylic acid
CID 14113060
3-pyridin-3-ylbenzoic acid
CID 2795575
6-methyl-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 62746595
4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 73012806
4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 59817867
2-pyridin-3-yl-1H-indole-4-carboxamide
CID 22014956

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-6H-thieno[2,3-b]pyrrole-2-carboxylic acid?
The IUPAC name of 5-pyridin-3-yl-6H-thieno[2,3-b]pyrrole-2-carboxylic acid (CID 82385778) is 5-pyridin-3-yl-6H-thieno[2,3-b]pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-pyridin-3-yl-6H-thieno[2,3-b]pyrrole-2-carboxylic acid?
The canonical SMILES for 5-pyridin-3-yl-6H-thieno[2,3-b]pyrrole-2-carboxylic acid is O=C(O)c1cc2cc(-c3cccnc3)[nH]c2s1.
What is the InChIKey of 5-pyridin-3-yl-6H-thieno[2,3-b]pyrrole-2-carboxylic acid?
The InChIKey is OYPROAPWOCLNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S/c15-12(16)10-5-8-4-9(14-11(8)17-10)7-2-1-3-13-6-7/h1-6,14H,(H,15,16).
What are the key properties of 5-pyridin-3-yl-6H-thieno[2,3-b]pyrrole-2-carboxylic acid?
5-pyridin-3-yl-6H-thieno[2,3-b]pyrrole-2-carboxylic acid has a molecular weight of 244.28 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-6H-thieno[2,3-b]pyrrole-2-carboxylic acid is sourced from PubChem (CID 82385778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).