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

C8H10N2O3 — CID 82442699

IUPAC2-ethyl-6-methyl-3-oxopyridazine-4-carboxylic acid
SMILESCCn1nc(C)cc(C(=O)O)c1=O
InChIInChI=1S/C8H10N2O3/c1-3-10-7(11)6(8(12)13)4-5(2)9-10/h4H,3H2,1-2H3,(H,12,13)
InChIKeyZDFUVPBYZBLOIK-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.27
Rot. Bonds2

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

2-ethyl-6-methyl-3-oxopyridazine-4-carboxylic acid (PubChem CID 82442699) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-ethyl-6-methyl-3-oxopyridazine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6-methyl-3-oxopyridazine-4-carboxylic acid
PubChem CID82442699
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-ethyl-6-methyl-3-oxopyridazine-4-carboxylic acid
SMILESCCn1nc(C)cc(C(=O)O)c1=O
InChIInChI=1S/C8H10N2O3/c1-3-10-7(11)6(8(12)13)4-5(2)9-10/h4H,3H2,1-2H3,(H,12,13)
InChIKeyZDFUVPBYZBLOIK-UHFFFAOYSA-N
XLogP0.27
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-3-oxopyridazine-4-carboxylic acid?
The IUPAC name of 2-ethyl-6-methyl-3-oxopyridazine-4-carboxylic acid (CID 82442699) is 2-ethyl-6-methyl-3-oxopyridazine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-6-methyl-3-oxopyridazine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-6-methyl-3-oxopyridazine-4-carboxylic acid is CCn1nc(C)cc(C(=O)O)c1=O.
What is the InChIKey of 2-ethyl-6-methyl-3-oxopyridazine-4-carboxylic acid?
The InChIKey is ZDFUVPBYZBLOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-3-10-7(11)6(8(12)13)4-5(2)9-10/h4H,3H2,1-2H3,(H,12,13).
What are the key properties of 2-ethyl-6-methyl-3-oxopyridazine-4-carboxylic acid?
2-ethyl-6-methyl-3-oxopyridazine-4-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-3-oxopyridazine-4-carboxylic acid is sourced from PubChem (CID 82442699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).