3-methoxy-6-(2-methylanilino)pyridazine-4-carboxylic acid

C13H13N3O3 — CID 117102977

IUPAC3-methoxy-6-(2-methylanilino)pyridazine-4-carboxylic acid
SMILESCOc1nnc(Nc2ccccc2C)cc1C(=O)O
InChIInChI=1S/C13H13N3O3/c1-8-5-3-4-6-10(8)14-11-7-9(13(17)18)12(19-2)16-15-11/h3-7H,1-2H3,(H,14,15)(H,17,18)
InChIKeyLRIBFHWHPKVLSZ-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.24
Rot. Bonds4

About 3-methoxy-6-(2-methylanilino)pyridazine-4-carboxylic acid

3-methoxy-6-(2-methylanilino)pyridazine-4-carboxylic acid (PubChem CID 117102977) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 3-methoxy-6-(2-methylanilino)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-6-(2-methylanilino)pyridazine-4-carboxylic acid
PubChem CID117102977
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name3-methoxy-6-(2-methylanilino)pyridazine-4-carboxylic acid
SMILESCOc1nnc(Nc2ccccc2C)cc1C(=O)O
InChIInChI=1S/C13H13N3O3/c1-8-5-3-4-6-10(8)14-11-7-9(13(17)18)12(19-2)16-15-11/h3-7H,1-2H3,(H,14,15)(H,17,18)
InChIKeyLRIBFHWHPKVLSZ-UHFFFAOYSA-N
XLogP2.24
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-(2-methylanilino)pyridazine-4-carboxylic acid?
The IUPAC name of 3-methoxy-6-(2-methylanilino)pyridazine-4-carboxylic acid (CID 117102977) is 3-methoxy-6-(2-methylanilino)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-methoxy-6-(2-methylanilino)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-methoxy-6-(2-methylanilino)pyridazine-4-carboxylic acid is COc1nnc(Nc2ccccc2C)cc1C(=O)O.
What is the InChIKey of 3-methoxy-6-(2-methylanilino)pyridazine-4-carboxylic acid?
The InChIKey is LRIBFHWHPKVLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-8-5-3-4-6-10(8)14-11-7-9(13(17)18)12(19-2)16-15-11/h3-7H,1-2H3,(H,14,15)(H,17,18).
What are the key properties of 3-methoxy-6-(2-methylanilino)pyridazine-4-carboxylic acid?
3-methoxy-6-(2-methylanilino)pyridazine-4-carboxylic acid has a molecular weight of 259.27 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-(2-methylanilino)pyridazine-4-carboxylic acid is sourced from PubChem (CID 117102977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).