2-methyl-3-oxopyridazine-4-carboxylic acid

C6H6N2O3 — CID 22498636

IUPAC2-methyl-3-oxopyridazine-4-carboxylic acid
SMILESCn1nccc(C(=O)O)c1=O
InChIInChI=1S/C6H6N2O3/c1-8-5(9)4(6(10)11)2-3-7-8/h2-3H,1H3,(H,10,11)
InChIKeyRZXOWMGNNLWTAE-UHFFFAOYSA-N
MW154.12 g/mol
LogP-0.52
Rot. Bonds1

About 2-methyl-3-oxopyridazine-4-carboxylic acid

2-methyl-3-oxopyridazine-4-carboxylic acid (PubChem CID 22498636) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is 2-methyl-3-oxopyridazine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-oxopyridazine-4-carboxylic acid
PubChem CID22498636
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name2-methyl-3-oxopyridazine-4-carboxylic acid
SMILESCn1nccc(C(=O)O)c1=O
InChIInChI=1S/C6H6N2O3/c1-8-5(9)4(6(10)11)2-3-7-8/h2-3H,1H3,(H,10,11)
InChIKeyRZXOWMGNNLWTAE-UHFFFAOYSA-N
XLogP-0.52
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxopyridazine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-oxopyridazine-4-carboxylic acid (CID 22498636) is 2-methyl-3-oxopyridazine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-oxopyridazine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-oxopyridazine-4-carboxylic acid is Cn1nccc(C(=O)O)c1=O.
What is the InChIKey of 2-methyl-3-oxopyridazine-4-carboxylic acid?
The InChIKey is RZXOWMGNNLWTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c1-8-5(9)4(6(10)11)2-3-7-8/h2-3H,1H3,(H,10,11).
What are the key properties of 2-methyl-3-oxopyridazine-4-carboxylic acid?
2-methyl-3-oxopyridazine-4-carboxylic acid has a molecular weight of 154.12 g/mol, XLogP of -0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxopyridazine-4-carboxylic acid is sourced from PubChem (CID 22498636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).