6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid

C12H8F3N3O2 — CID 60790862

IUPAC6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)7-2-1-3-8(6-7)16-10-5-4-9(11(19)20)17-18-10/h1-6H,(H,16,18)(H,19,20)
InChIKeyOYKPANZXOXZHTQ-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.94
Rot. Bonds3

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

6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid (PubChem CID 60790862) has the molecular formula C12H8F3N3O2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
PubChem CID60790862
Molecular FormulaC12H8F3N3O2
Molecular Weight283.21 g/mol
Exact Mass283.06
IUPAC Name6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)7-2-1-3-8(6-7)16-10-5-4-9(11(19)20)17-18-10/h1-6H,(H,16,18)(H,19,20)
InChIKeyOYKPANZXOXZHTQ-UHFFFAOYSA-N
XLogP2.94
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109109734
N-(4-fluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109128539
N-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109110127
6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109129760
N-(2-phenylethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109121694
N-cyclopentyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109112395
N-(2,4-difluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109129753
N-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109120891
6-[2-chloro-5-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
CID 60791798
N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109121178
2-[3-(trifluoromethyl)anilino]quinoline-7-carboxylic acid
CID 174186287
N-(oxolan-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109115094

Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid (CID 60790862) is 6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid is O=C(O)c1ccc(Nc2cccc(C(F)(F)F)c2)nn1.
What is the InChIKey of 6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid?
The InChIKey is OYKPANZXOXZHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O2/c13-12(14,15)7-2-1-3-8(6-7)16-10-5-4-9(11(19)20)17-18-10/h1-6H,(H,16,18)(H,19,20).
What are the key properties of 6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid?
6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid has a molecular weight of 283.21 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 60790862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).