4-(4-fluoroanilino)pyridazine-3-carboxylic acid

C11H8FN3O2 — CID 155250939

IUPAC4-(4-fluoroanilino)pyridazine-3-carboxylic acid
SMILESO=C(O)c1nnccc1Nc1ccc(F)cc1
InChIInChI=1S/C11H8FN3O2/c12-7-1-3-8(4-2-7)14-9-5-6-13-15-10(9)11(16)17/h1-6H,(H,13,14)(H,16,17)
InChIKeyBOYWYKKFKMICPZ-UHFFFAOYSA-N
MW233.20 g/mol
LogP2.06
Rot. Bonds3

About 4-(4-fluoroanilino)pyridazine-3-carboxylic acid

4-(4-fluoroanilino)pyridazine-3-carboxylic acid (PubChem CID 155250939) has the molecular formula C11H8FN3O2 and a molecular weight of 233.20 g/mol. Its IUPAC name is 4-(4-fluoroanilino)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluoroanilino)pyridazine-3-carboxylic acid
PubChem CID155250939
Molecular FormulaC11H8FN3O2
Molecular Weight233.20 g/mol
Exact Mass233.06
IUPAC Name4-(4-fluoroanilino)pyridazine-3-carboxylic acid
SMILESO=C(O)c1nnccc1Nc1ccc(F)cc1
InChIInChI=1S/C11H8FN3O2/c12-7-1-3-8(4-2-7)14-9-5-6-13-15-10(9)11(16)17/h1-6H,(H,13,14)(H,16,17)
InChIKeyBOYWYKKFKMICPZ-UHFFFAOYSA-N
XLogP2.06
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Pyrazole-5-carboxylic acid, 1-methyl-4-(phenylamino)-
CID 3163197
4-Aminopyridazine-3-carboxylic acid
CID 6402483
4-[(4-fluorophenyl)amino]-1-methyl-1H-pyrazole-5-carboxylic acid
CID 12985693
4-[(2-fluorophenyl)amino]-1-methyl-1H-pyrazole-5-carboxylic acid
CID 12985695
4-[(3-fluorophenyl)amino]-1-methyl-1H-pyrazole-5-carboxylic acid
CID 12985697
Methyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate
CID 59769268
4-Amino-1-[2-(3-fluoroanilino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 90848063
5-Chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid
CID 141408410
4-[(4-Fluorophenyl)methylamino]pyridazine-3-carboxylic acid
CID 151578022
4-[[2-(2,4,6-Trifluorophenyl)acetyl]amino]pyridazine-3-carboxylic acid
CID 153787781
Ethyl 4-(4-fluoroanilino)pyridazine-3-carboxylate
CID 155250944
Methyl 4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylate
CID 156465464

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoroanilino)pyridazine-3-carboxylic acid?
The IUPAC name of 4-(4-fluoroanilino)pyridazine-3-carboxylic acid (CID 155250939) is 4-(4-fluoroanilino)pyridazine-3-carboxylic acid.
What is the SMILES notation for 4-(4-fluoroanilino)pyridazine-3-carboxylic acid?
The canonical SMILES for 4-(4-fluoroanilino)pyridazine-3-carboxylic acid is O=C(O)c1nnccc1Nc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluoroanilino)pyridazine-3-carboxylic acid?
The InChIKey is BOYWYKKFKMICPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O2/c12-7-1-3-8(4-2-7)14-9-5-6-13-15-10(9)11(16)17/h1-6H,(H,13,14)(H,16,17).
What are the key properties of 4-(4-fluoroanilino)pyridazine-3-carboxylic acid?
4-(4-fluoroanilino)pyridazine-3-carboxylic acid has a molecular weight of 233.20 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoroanilino)pyridazine-3-carboxylic acid is sourced from PubChem (CID 155250939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).