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

C7H8N2O4 — CID 168812501

IUPAC6-methoxy-2-methyl-3-oxopyridazine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)c(=O)n(C)n1
InChIInChI=1S/C7H8N2O4/c1-9-6(10)4(7(11)12)3-5(8-9)13-2/h3H,1-2H3,(H,11,12)
InChIKeyJVJRRTNUWRTKFB-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.51
Rot. Bonds2

About 6-methoxy-2-methyl-3-oxopyridazine-4-carboxylic acid

6-methoxy-2-methyl-3-oxopyridazine-4-carboxylic acid (PubChem CID 168812501) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 6-methoxy-2-methyl-3-oxopyridazine-4-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-2-methyl-3-oxopyridazine-4-carboxylic acid
PubChem CID168812501
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name6-methoxy-2-methyl-3-oxopyridazine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)c(=O)n(C)n1
InChIInChI=1S/C7H8N2O4/c1-9-6(10)4(7(11)12)3-5(8-9)13-2/h3H,1-2H3,(H,11,12)
InChIKeyJVJRRTNUWRTKFB-UHFFFAOYSA-N
XLogP-0.51
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-3-oxopyridazine-4-carboxylic acid?
The IUPAC name of 6-methoxy-2-methyl-3-oxopyridazine-4-carboxylic acid (CID 168812501) is 6-methoxy-2-methyl-3-oxopyridazine-4-carboxylic acid.
What is the SMILES notation for 6-methoxy-2-methyl-3-oxopyridazine-4-carboxylic acid?
The canonical SMILES for 6-methoxy-2-methyl-3-oxopyridazine-4-carboxylic acid is COc1cc(C(=O)O)c(=O)n(C)n1.
What is the InChIKey of 6-methoxy-2-methyl-3-oxopyridazine-4-carboxylic acid?
The InChIKey is JVJRRTNUWRTKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-9-6(10)4(7(11)12)3-5(8-9)13-2/h3H,1-2H3,(H,11,12).
What are the key properties of 6-methoxy-2-methyl-3-oxopyridazine-4-carboxylic acid?
6-methoxy-2-methyl-3-oxopyridazine-4-carboxylic acid has a molecular weight of 184.15 g/mol, XLogP of -0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-3-oxopyridazine-4-carboxylic acid is sourced from PubChem (CID 168812501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).