5-(6-ethylpyridazin-4-yl)thiophene-2-carboxylic acid

C11H10N2O2S — CID 118468569

IUPAC5-(6-ethylpyridazin-4-yl)thiophene-2-carboxylic acid
SMILESCCc1cc(-c2ccc(C(=O)O)s2)cnn1
InChIInChI=1S/C11H10N2O2S/c1-2-8-5-7(6-12-13-8)9-3-4-10(16-9)11(14)15/h3-6H,2H2,1H3,(H,14,15)
InChIKeyDPHOTFKKOCJTGR-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.47
Rot. Bonds3

About 5-(6-ethylpyridazin-4-yl)thiophene-2-carboxylic acid

5-(6-ethylpyridazin-4-yl)thiophene-2-carboxylic acid (PubChem CID 118468569) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 5-(6-ethylpyridazin-4-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(6-ethylpyridazin-4-yl)thiophene-2-carboxylic acid
PubChem CID118468569
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name5-(6-ethylpyridazin-4-yl)thiophene-2-carboxylic acid
SMILESCCc1cc(-c2ccc(C(=O)O)s2)cnn1
InChIInChI=1S/C11H10N2O2S/c1-2-8-5-7(6-12-13-8)9-3-4-10(16-9)11(14)15/h3-6H,2H2,1H3,(H,14,15)
InChIKeyDPHOTFKKOCJTGR-UHFFFAOYSA-N
XLogP2.47
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-ethylpyridazin-4-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(6-ethylpyridazin-4-yl)thiophene-2-carboxylic acid (CID 118468569) is 5-(6-ethylpyridazin-4-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(6-ethylpyridazin-4-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(6-ethylpyridazin-4-yl)thiophene-2-carboxylic acid is CCc1cc(-c2ccc(C(=O)O)s2)cnn1.
What is the InChIKey of 5-(6-ethylpyridazin-4-yl)thiophene-2-carboxylic acid?
The InChIKey is DPHOTFKKOCJTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-2-8-5-7(6-12-13-8)9-3-4-10(16-9)11(14)15/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of 5-(6-ethylpyridazin-4-yl)thiophene-2-carboxylic acid?
5-(6-ethylpyridazin-4-yl)thiophene-2-carboxylic acid has a molecular weight of 234.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-ethylpyridazin-4-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 118468569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).