1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylic acid

C12H10N2O4 — CID 1484997

IUPAC1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylic acid
SMILESCOc1ccc(-n2ccc(=O)c(C(=O)O)n2)cc1
InChIInChI=1S/C12H10N2O4/c1-18-9-4-2-8(3-5-9)14-7-6-10(15)11(13-14)12(16)17/h2-7H,1H3,(H,16,17)
InChIKeyIDQXMDYMPOLSFN-UHFFFAOYSA-N
MW246.22 g/mol
LogP0.94
Rot. Bonds3

About 1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylic acid

1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylic acid (PubChem CID 1484997) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylic acid
PubChem CID1484997
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylic acid
SMILESCOc1ccc(-n2ccc(=O)c(C(=O)O)n2)cc1
InChIInChI=1S/C12H10N2O4/c1-18-9-4-2-8(3-5-9)14-7-6-10(15)11(13-14)12(16)17/h2-7H,1H3,(H,16,17)
InChIKeyIDQXMDYMPOLSFN-UHFFFAOYSA-N
XLogP0.94
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylic acid (CID 1484997) is 1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylic acid is COc1ccc(-n2ccc(=O)c(C(=O)O)n2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylic acid?
The InChIKey is IDQXMDYMPOLSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-18-9-4-2-8(3-5-9)14-7-6-10(15)11(13-14)12(16)17/h2-7H,1H3,(H,16,17).
What are the key properties of 1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylic acid?
1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylic acid has a molecular weight of 246.22 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 1484997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).