3-thiophen-2-yl-1H-indazole-4-carboxylic acid

C12H8N2O2S — CID 39218203

IUPAC3-thiophen-2-yl-1H-indazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]nc(-c3cccs3)c12
InChIInChI=1S/C12H8N2O2S/c15-12(16)7-3-1-4-8-10(7)11(14-13-8)9-5-2-6-17-9/h1-6H,(H,13,14)(H,15,16)
InChIKeyJWJIAPDLNHLGNG-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.99
Rot. Bonds2

About 3-thiophen-2-yl-1H-indazole-4-carboxylic acid

3-thiophen-2-yl-1H-indazole-4-carboxylic acid (PubChem CID 39218203) has the molecular formula C12H8N2O2S and a molecular weight of 244.28 g/mol. Its IUPAC name is 3-thiophen-2-yl-1H-indazole-4-carboxylic acid.

Molecular Properties

Compound Name3-thiophen-2-yl-1H-indazole-4-carboxylic acid
PubChem CID39218203
Molecular FormulaC12H8N2O2S
Molecular Weight244.28 g/mol
Exact Mass244.03
IUPAC Name3-thiophen-2-yl-1H-indazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]nc(-c3cccs3)c12
InChIInChI=1S/C12H8N2O2S/c15-12(16)7-3-1-4-8-10(7)11(14-13-8)9-5-2-6-17-9/h1-6H,(H,13,14)(H,15,16)
InChIKeyJWJIAPDLNHLGNG-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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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-1H-indazole-4-carboxylic acid?
The IUPAC name of 3-thiophen-2-yl-1H-indazole-4-carboxylic acid (CID 39218203) is 3-thiophen-2-yl-1H-indazole-4-carboxylic acid.
What is the SMILES notation for 3-thiophen-2-yl-1H-indazole-4-carboxylic acid?
The canonical SMILES for 3-thiophen-2-yl-1H-indazole-4-carboxylic acid is O=C(O)c1cccc2[nH]nc(-c3cccs3)c12.
What is the InChIKey of 3-thiophen-2-yl-1H-indazole-4-carboxylic acid?
The InChIKey is JWJIAPDLNHLGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S/c15-12(16)7-3-1-4-8-10(7)11(14-13-8)9-5-2-6-17-9/h1-6H,(H,13,14)(H,15,16).
What are the key properties of 3-thiophen-2-yl-1H-indazole-4-carboxylic acid?
3-thiophen-2-yl-1H-indazole-4-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 3-thiophen-2-yl-1H-indazole-4-carboxylic acid is sourced from PubChem (CID 39218203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).