6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridazine-3-carboxylic acid

C11H7F3N4O2 — CID 82817735

IUPAC6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2ccc(C(F)(F)F)nc2)nn1
InChIInChI=1S/C11H7F3N4O2/c12-11(13,14)8-3-1-6(5-15-8)16-9-4-2-7(10(19)20)17-18-9/h1-5H,(H,16,18)(H,19,20)
InChIKeyRXTJGLHWJJMHQZ-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.33
Rot. Bonds3

About 6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridazine-3-carboxylic acid

6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridazine-3-carboxylic acid (PubChem CID 82817735) has the molecular formula C11H7F3N4O2 and a molecular weight of 284.20 g/mol. Its IUPAC name is 6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridazine-3-carboxylic acid
PubChem CID82817735
Molecular FormulaC11H7F3N4O2
Molecular Weight284.20 g/mol
Exact Mass284.05
IUPAC Name6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2ccc(C(F)(F)F)nc2)nn1
InChIInChI=1S/C11H7F3N4O2/c12-11(13,14)8-3-1-6(5-15-8)16-9-4-2-7(10(19)20)17-18-9/h1-5H,(H,16,18)(H,19,20)
InChIKeyRXTJGLHWJJMHQZ-UHFFFAOYSA-N
XLogP2.33
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridazine-3-carboxylic acid (CID 82817735) is 6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridazine-3-carboxylic acid is O=C(O)c1ccc(Nc2ccc(C(F)(F)F)nc2)nn1.
What is the InChIKey of 6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridazine-3-carboxylic acid?
The InChIKey is RXTJGLHWJJMHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N4O2/c12-11(13,14)8-3-1-6(5-15-8)16-9-4-2-7(10(19)20)17-18-9/h1-5H,(H,16,18)(H,19,20).
What are the key properties of 6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridazine-3-carboxylic acid?
6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridazine-3-carboxylic acid has a molecular weight of 284.20 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 82817735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).