6-(2-cyano-3-fluoroanilino)pyridazine-3-carboxylic acid

C12H7FN4O2 — CID 60792269

IUPAC6-(2-cyano-3-fluoroanilino)pyridazine-3-carboxylic acid
SMILESN#Cc1c(F)cccc1Nc1ccc(C(=O)O)nn1
InChIInChI=1S/C12H7FN4O2/c13-8-2-1-3-9(7(8)6-14)15-11-5-4-10(12(18)19)16-17-11/h1-5H,(H,15,17)(H,18,19)
InChIKeyDUSJSBTZUIDUGL-UHFFFAOYSA-N
MW258.21 g/mol
LogP1.93
Rot. Bonds3

About 6-(2-cyano-3-fluoroanilino)pyridazine-3-carboxylic acid

6-(2-cyano-3-fluoroanilino)pyridazine-3-carboxylic acid (PubChem CID 60792269) has the molecular formula C12H7FN4O2 and a molecular weight of 258.21 g/mol. Its IUPAC name is 6-(2-cyano-3-fluoroanilino)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-cyano-3-fluoroanilino)pyridazine-3-carboxylic acid
PubChem CID60792269
Molecular FormulaC12H7FN4O2
Molecular Weight258.21 g/mol
Exact Mass258.06
IUPAC Name6-(2-cyano-3-fluoroanilino)pyridazine-3-carboxylic acid
SMILESN#Cc1c(F)cccc1Nc1ccc(C(=O)O)nn1
InChIInChI=1S/C12H7FN4O2/c13-8-2-1-3-9(7(8)6-14)15-11-5-4-10(12(18)19)16-17-11/h1-5H,(H,15,17)(H,18,19)
InChIKeyDUSJSBTZUIDUGL-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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyano-3-fluoroanilino)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(2-cyano-3-fluoroanilino)pyridazine-3-carboxylic acid (CID 60792269) is 6-(2-cyano-3-fluoroanilino)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(2-cyano-3-fluoroanilino)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(2-cyano-3-fluoroanilino)pyridazine-3-carboxylic acid is N#Cc1c(F)cccc1Nc1ccc(C(=O)O)nn1.
What is the InChIKey of 6-(2-cyano-3-fluoroanilino)pyridazine-3-carboxylic acid?
The InChIKey is DUSJSBTZUIDUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN4O2/c13-8-2-1-3-9(7(8)6-14)15-11-5-4-10(12(18)19)16-17-11/h1-5H,(H,15,17)(H,18,19).
What are the key properties of 6-(2-cyano-3-fluoroanilino)pyridazine-3-carboxylic acid?
6-(2-cyano-3-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-(2-cyano-3-fluoroanilino)pyridazine-3-carboxylic acid is sourced from PubChem (CID 60792269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).