6-(4-fluoro-2-methylphenyl)pyridazine-3-carboxylic acid

C12H9FN2O2 — CID 91027585

IUPAC6-(4-fluoro-2-methylphenyl)pyridazine-3-carboxylic acid
SMILESCc1cc(F)ccc1-c1ccc(C(=O)O)nn1
InChIInChI=1S/C12H9FN2O2/c1-7-6-8(13)2-3-9(7)10-4-5-11(12(16)17)15-14-10/h2-6H,1H3,(H,16,17)
InChIKeyHTWPQCLKZIDDJZ-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.29
Rot. Bonds2

About 6-(4-fluoro-2-methylphenyl)pyridazine-3-carboxylic acid

6-(4-fluoro-2-methylphenyl)pyridazine-3-carboxylic acid (PubChem CID 91027585) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 6-(4-fluoro-2-methylphenyl)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-fluoro-2-methylphenyl)pyridazine-3-carboxylic acid
PubChem CID91027585
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name6-(4-fluoro-2-methylphenyl)pyridazine-3-carboxylic acid
SMILESCc1cc(F)ccc1-c1ccc(C(=O)O)nn1
InChIInChI=1S/C12H9FN2O2/c1-7-6-8(13)2-3-9(7)10-4-5-11(12(16)17)15-14-10/h2-6H,1H3,(H,16,17)
InChIKeyHTWPQCLKZIDDJZ-UHFFFAOYSA-N
XLogP2.29
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(4-fluoro-2-methylphenyl)pyridazine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-2-methylphenyl)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(4-fluoro-2-methylphenyl)pyridazine-3-carboxylic acid (CID 91027585) is 6-(4-fluoro-2-methylphenyl)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(4-fluoro-2-methylphenyl)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(4-fluoro-2-methylphenyl)pyridazine-3-carboxylic acid is Cc1cc(F)ccc1-c1ccc(C(=O)O)nn1.
What is the InChIKey of 6-(4-fluoro-2-methylphenyl)pyridazine-3-carboxylic acid?
The InChIKey is HTWPQCLKZIDDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c1-7-6-8(13)2-3-9(7)10-4-5-11(12(16)17)15-14-10/h2-6H,1H3,(H,16,17).
What are the key properties of 6-(4-fluoro-2-methylphenyl)pyridazine-3-carboxylic acid?
6-(4-fluoro-2-methylphenyl)pyridazine-3-carboxylic acid has a molecular weight of 232.21 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-2-methylphenyl)pyridazine-3-carboxylic acid is sourced from PubChem (CID 91027585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).