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

C11H10N2O4S — CID 105061587

IUPAC3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid
SMILESCOc1ccc(=O)n(Cc2ccsc2C(=O)O)n1
InChIInChI=1S/C11H10N2O4S/c1-17-8-2-3-9(14)13(12-8)6-7-4-5-18-10(7)11(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKeyUWWPJPYBIAXMKX-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.06
Rot. Bonds4

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

3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid (PubChem CID 105061587) has the molecular formula C11H10N2O4S and a molecular weight of 266.28 g/mol. Its IUPAC name is 3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid
PubChem CID105061587
Molecular FormulaC11H10N2O4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Name3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid
SMILESCOc1ccc(=O)n(Cc2ccsc2C(=O)O)n1
InChIInChI=1S/C11H10N2O4S/c1-17-8-2-3-9(14)13(12-8)6-7-4-5-18-10(7)11(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKeyUWWPJPYBIAXMKX-UHFFFAOYSA-N
XLogP1.06
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-methoxy-6-oxopyridazin-1-yl)methyl]-3-methylbenzoic acid
CID 105062208
2-(3-methoxy-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
CID 132587202
3-[[(6-methoxy-3-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 103250605
(E)-4-(3-methoxy-6-oxopyridazin-1-yl)but-2-enoic acid
CID 105061529
(E)-3-[4-[(3-methoxy-6-oxopyridazin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 105062028
6-(3-methoxy-6-oxopyridazin-1-yl)hexanoic acid
CID 105061554
2-[[3-(aminomethyl)-2-fluorophenyl]methyl]-6-methoxypyridazin-3-one
CID 107113943
ethyl 3-(3-methoxy-6-oxopyridazin-1-yl)propanoate
CID 105061550
6-methoxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 105061881
2-(azetidin-3-ylmethyl)-6-methoxypyridazin-3-one
CID 130530939
3-(1,2,4-triazol-1-ylmethyl)thiophene-2-carboxylic acid
CID 63640369
6-methoxy-2-(3-oxo-3-piperazin-1-ylpropyl)pyridazin-3-one
CID 105061828

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid (CID 105061587) is 3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid is COc1ccc(=O)n(Cc2ccsc2C(=O)O)n1.
What is the InChIKey of 3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid?
The InChIKey is UWWPJPYBIAXMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S/c1-17-8-2-3-9(14)13(12-8)6-7-4-5-18-10(7)11(15)16/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid?
3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid has a molecular weight of 266.28 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 105061587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).