3-[(6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid

C10H8N2O3S — CID 63641247

IUPAC3-[(6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1Cn1ncccc1=O
InChIInChI=1S/C10H8N2O3S/c13-8-2-1-4-11-12(8)6-7-3-5-16-9(7)10(14)15/h1-5H,6H2,(H,14,15)
InChIKeyNOFJBBVGOSPUEV-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.05
Rot. Bonds3

About 3-[(6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid

3-[(6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid (PubChem CID 63641247) has the molecular formula C10H8N2O3S and a molecular weight of 236.25 g/mol. Its IUPAC name is 3-[(6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid
PubChem CID63641247
Molecular FormulaC10H8N2O3S
Molecular Weight236.25 g/mol
Exact Mass236.03
IUPAC Name3-[(6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1Cn1ncccc1=O
InChIInChI=1S/C10H8N2O3S/c13-8-2-1-4-11-12(8)6-7-3-5-16-9(7)10(14)15/h1-5H,6H2,(H,14,15)
InChIKeyNOFJBBVGOSPUEV-UHFFFAOYSA-N
XLogP1.05
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid (CID 63641247) is 3-[(6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid is O=C(O)c1sccc1Cn1ncccc1=O.
What is the InChIKey of 3-[(6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid?
The InChIKey is NOFJBBVGOSPUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3S/c13-8-2-1-4-11-12(8)6-7-3-5-16-9(7)10(14)15/h1-5H,6H2,(H,14,15).
What are the key properties of 3-[(6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid?
3-[(6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid has a molecular weight of 236.25 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63641247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).