1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid

C12H10N2O3 — CID 28603373

IUPAC1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid
SMILESCc1ccc(-n2nc(C(=O)O)ccc2=O)cc1
InChIInChI=1S/C12H10N2O3/c1-8-2-4-9(5-3-8)14-11(15)7-6-10(13-14)12(16)17/h2-7H,1H3,(H,16,17)
InChIKeyAQGNFGAVOFYFEN-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.24
Rot. Bonds2

About 1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid

1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid (PubChem CID 28603373) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid
PubChem CID28603373
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid
SMILESCc1ccc(-n2nc(C(=O)O)ccc2=O)cc1
InChIInChI=1S/C12H10N2O3/c1-8-2-4-9(5-3-8)14-11(15)7-6-10(13-14)12(16)17/h2-7H,1H3,(H,16,17)
InChIKeyAQGNFGAVOFYFEN-UHFFFAOYSA-N
XLogP1.24
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid (CID 28603373) is 1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid is Cc1ccc(-n2nc(C(=O)O)ccc2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid?
The InChIKey is AQGNFGAVOFYFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-8-2-4-9(5-3-8)14-11(15)7-6-10(13-14)12(16)17/h2-7H,1H3,(H,16,17).
What are the key properties of 1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid?
1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 28603373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).