6-(5-chlorothiophen-2-yl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid

C11H6ClN3O3S — CID 62366086

IUPAC6-(5-chlorothiophen-2-yl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)s2)nc2[nH][nH]c(=O)c12
InChIInChI=1S/C11H6ClN3O3S/c12-7-2-1-6(19-7)5-3-4(11(17)18)8-9(13-5)14-15-10(8)16/h1-3H,(H,17,18)(H2,13,14,15,16)
InChIKeyHLSZDCZAWBXYNK-UHFFFAOYSA-N
MW295.71 g/mol
LogP2.33
Rot. Bonds2

About 6-(5-chlorothiophen-2-yl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid

6-(5-chlorothiophen-2-yl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 62366086) has the molecular formula C11H6ClN3O3S and a molecular weight of 295.71 g/mol. Its IUPAC name is 6-(5-chlorothiophen-2-yl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(5-chlorothiophen-2-yl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID62366086
Molecular FormulaC11H6ClN3O3S
Molecular Weight295.71 g/mol
Exact Mass294.98
IUPAC Name6-(5-chlorothiophen-2-yl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)s2)nc2[nH][nH]c(=O)c12
InChIInChI=1S/C11H6ClN3O3S/c12-7-2-1-6(19-7)5-3-4(11(17)18)8-9(13-5)14-15-10(8)16/h1-3H,(H,17,18)(H2,13,14,15,16)
InChIKeyHLSZDCZAWBXYNK-UHFFFAOYSA-N
XLogP2.33
TPSA98.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.71
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chlorothiophen-2-yl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(5-chlorothiophen-2-yl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 62366086) is 6-(5-chlorothiophen-2-yl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(5-chlorothiophen-2-yl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(5-chlorothiophen-2-yl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(-c2ccc(Cl)s2)nc2[nH][nH]c(=O)c12.
What is the InChIKey of 6-(5-chlorothiophen-2-yl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is HLSZDCZAWBXYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O3S/c12-7-2-1-6(19-7)5-3-4(11(17)18)8-9(13-5)14-15-10(8)16/h1-3H,(H,17,18)(H2,13,14,15,16).
What are the key properties of 6-(5-chlorothiophen-2-yl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid?
6-(5-chlorothiophen-2-yl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 295.71 g/mol, XLogP of 2.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chlorothiophen-2-yl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 62366086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).