6-(3-cyano-4-fluoroanilino)pyridazine-3-carboxylic acid

C12H7FN4O2 — CID 62315659

IUPAC6-(3-cyano-4-fluoroanilino)pyridazine-3-carboxylic acid
SMILESN#Cc1cc(Nc2ccc(C(=O)O)nn2)ccc1F
InChIInChI=1S/C12H7FN4O2/c13-9-2-1-8(5-7(9)6-14)15-11-4-3-10(12(18)19)16-17-11/h1-5H,(H,15,17)(H,18,19)
InChIKeyUSXPYVUSVWRBOH-UHFFFAOYSA-N
MW258.21 g/mol
LogP1.93
Rot. Bonds3

About 6-(3-cyano-4-fluoroanilino)pyridazine-3-carboxylic acid

6-(3-cyano-4-fluoroanilino)pyridazine-3-carboxylic acid (PubChem CID 62315659) has the molecular formula C12H7FN4O2 and a molecular weight of 258.21 g/mol. Its IUPAC name is 6-(3-cyano-4-fluoroanilino)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-cyano-4-fluoroanilino)pyridazine-3-carboxylic acid
PubChem CID62315659
Molecular FormulaC12H7FN4O2
Molecular Weight258.21 g/mol
Exact Mass258.06
IUPAC Name6-(3-cyano-4-fluoroanilino)pyridazine-3-carboxylic acid
SMILESN#Cc1cc(Nc2ccc(C(=O)O)nn2)ccc1F
InChIInChI=1S/C12H7FN4O2/c13-9-2-1-8(5-7(9)6-14)15-11-4-3-10(12(18)19)16-17-11/h1-5H,(H,15,17)(H,18,19)
InChIKeyUSXPYVUSVWRBOH-UHFFFAOYSA-N
XLogP1.93
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(3-cyano-4-fluoroanilino)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-(3-cyano-4-fluoroanilino)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(3-cyano-4-fluoroanilino)pyridazine-3-carboxylic acid (CID 62315659) is 6-(3-cyano-4-fluoroanilino)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(3-cyano-4-fluoroanilino)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(3-cyano-4-fluoroanilino)pyridazine-3-carboxylic acid is N#Cc1cc(Nc2ccc(C(=O)O)nn2)ccc1F.
What is the InChIKey of 6-(3-cyano-4-fluoroanilino)pyridazine-3-carboxylic acid?
The InChIKey is USXPYVUSVWRBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN4O2/c13-9-2-1-8(5-7(9)6-14)15-11-4-3-10(12(18)19)16-17-11/h1-5H,(H,15,17)(H,18,19).
What are the key properties of 6-(3-cyano-4-fluoroanilino)pyridazine-3-carboxylic acid?
6-(3-cyano-4-fluoroanilino)pyridazine-3-carboxylic acid has a molecular weight of 258.21 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyano-4-fluoroanilino)pyridazine-3-carboxylic acid is sourced from PubChem (CID 62315659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).