6-oxo-3-thiophen-3-yl-1H-pyridazine-5-carboxylic acid

C9H6N2O3S — CID 91392997

IUPAC6-oxo-3-thiophen-3-yl-1H-pyridazine-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccsc2)n[nH]c1=O
InChIInChI=1S/C9H6N2O3S/c12-8-6(9(13)14)3-7(10-11-8)5-1-2-15-4-5/h1-4H,(H,11,12)(H,13,14)
InChIKeyIDNZYZXZMLSYFB-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.20
Rot. Bonds2

About 6-oxo-3-thiophen-3-yl-1H-pyridazine-5-carboxylic acid

6-oxo-3-thiophen-3-yl-1H-pyridazine-5-carboxylic acid (PubChem CID 91392997) has the molecular formula C9H6N2O3S and a molecular weight of 222.22 g/mol. Its IUPAC name is 6-oxo-3-thiophen-3-yl-1H-pyridazine-5-carboxylic acid.

Molecular Properties

Compound Name6-oxo-3-thiophen-3-yl-1H-pyridazine-5-carboxylic acid
PubChem CID91392997
Molecular FormulaC9H6N2O3S
Molecular Weight222.22 g/mol
Exact Mass222.01
IUPAC Name6-oxo-3-thiophen-3-yl-1H-pyridazine-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccsc2)n[nH]c1=O
InChIInChI=1S/C9H6N2O3S/c12-8-6(9(13)14)3-7(10-11-8)5-1-2-15-4-5/h1-4H,(H,11,12)(H,13,14)
InChIKeyIDNZYZXZMLSYFB-UHFFFAOYSA-N
XLogP1.20
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 90994241
3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445716
3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 83644193
3-(3-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 136660992
5-methyl-2-thiophen-3-ylbenzoic acid
CID 53224821
6-oxo-3-(4-propan-2-yloxyphenyl)-1H-pyridazine-5-carboxylic acid
CID 82446124
6,7-difluoro-2-thiophen-3-ylquinoline-4-carboxylic acid
CID 80746977
methyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate
CID 121205064
5-acetyl-3-(4-methylphenyl)-1H-pyridazin-6-one
CID 82445462
7,8-dichloro-2-thiophen-3-ylquinoline-4-carboxylic acid
CID 63462654
4-thiophen-3-ylbenzene-1,3-dicarboxylic acid
CID 59395096
3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 83646245

Frequently Asked Questions

What is the IUPAC name of 6-oxo-3-thiophen-3-yl-1H-pyridazine-5-carboxylic acid?
The IUPAC name of 6-oxo-3-thiophen-3-yl-1H-pyridazine-5-carboxylic acid (CID 91392997) is 6-oxo-3-thiophen-3-yl-1H-pyridazine-5-carboxylic acid.
What is the SMILES notation for 6-oxo-3-thiophen-3-yl-1H-pyridazine-5-carboxylic acid?
The canonical SMILES for 6-oxo-3-thiophen-3-yl-1H-pyridazine-5-carboxylic acid is O=C(O)c1cc(-c2ccsc2)n[nH]c1=O.
What is the InChIKey of 6-oxo-3-thiophen-3-yl-1H-pyridazine-5-carboxylic acid?
The InChIKey is IDNZYZXZMLSYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3S/c12-8-6(9(13)14)3-7(10-11-8)5-1-2-15-4-5/h1-4H,(H,11,12)(H,13,14).
What are the key properties of 6-oxo-3-thiophen-3-yl-1H-pyridazine-5-carboxylic acid?
6-oxo-3-thiophen-3-yl-1H-pyridazine-5-carboxylic acid has a molecular weight of 222.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-3-thiophen-3-yl-1H-pyridazine-5-carboxylic acid is sourced from PubChem (CID 91392997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).