5,6-dimethylpyridazine-3-carboxylic acid

C7H8N2O2 — CID 83635384

IUPAC5,6-dimethylpyridazine-3-carboxylic acid
SMILESCc1cc(C(=O)O)nnc1C
InChIInChI=1S/C7H8N2O2/c1-4-3-6(7(10)11)9-8-5(4)2/h3H,1-2H3,(H,10,11)
InChIKeyMSXKBRCSXCONEJ-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.79
Rot. Bonds1

About 5,6-dimethylpyridazine-3-carboxylic acid

5,6-dimethylpyridazine-3-carboxylic acid (PubChem CID 83635384) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 5,6-dimethylpyridazine-3-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethylpyridazine-3-carboxylic acid
PubChem CID83635384
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name5,6-dimethylpyridazine-3-carboxylic acid
SMILESCc1cc(C(=O)O)nnc1C
InChIInChI=1S/C7H8N2O2/c1-4-3-6(7(10)11)9-8-5(4)2/h3H,1-2H3,(H,10,11)
InChIKeyMSXKBRCSXCONEJ-UHFFFAOYSA-N
XLogP0.79
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylpyridazine-3-carboxylic acid?
The IUPAC name of 5,6-dimethylpyridazine-3-carboxylic acid (CID 83635384) is 5,6-dimethylpyridazine-3-carboxylic acid.
What is the SMILES notation for 5,6-dimethylpyridazine-3-carboxylic acid?
The canonical SMILES for 5,6-dimethylpyridazine-3-carboxylic acid is Cc1cc(C(=O)O)nnc1C.
What is the InChIKey of 5,6-dimethylpyridazine-3-carboxylic acid?
The InChIKey is MSXKBRCSXCONEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-4-3-6(7(10)11)9-8-5(4)2/h3H,1-2H3,(H,10,11).
What are the key properties of 5,6-dimethylpyridazine-3-carboxylic acid?
5,6-dimethylpyridazine-3-carboxylic acid has a molecular weight of 152.15 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylpyridazine-3-carboxylic acid is sourced from PubChem (CID 83635384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).