3-chloro-6-phenyl-4-(trifluoromethyl)pyridazine

C11H6ClF3N2 — CID 10587337

IUPAC3-chloro-6-phenyl-4-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1cc(-c2ccccc2)nnc1Cl
InChIInChI=1S/C11H6ClF3N2/c12-10-8(11(13,14)15)6-9(16-17-10)7-4-2-1-3-5-7/h1-6H
InChIKeySLQZHZXZZKZBAO-UHFFFAOYSA-N
MW258.63 g/mol
LogP3.82
Rot. Bonds1

About 3-chloro-6-phenyl-4-(trifluoromethyl)pyridazine

3-chloro-6-phenyl-4-(trifluoromethyl)pyridazine (PubChem CID 10587337) has the molecular formula C11H6ClF3N2 and a molecular weight of 258.63 g/mol. Its IUPAC name is 3-chloro-6-phenyl-4-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-phenyl-4-(trifluoromethyl)pyridazine
PubChem CID10587337
Molecular FormulaC11H6ClF3N2
Molecular Weight258.63 g/mol
Exact Mass258.02
IUPAC Name3-chloro-6-phenyl-4-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1cc(-c2ccccc2)nnc1Cl
InChIInChI=1S/C11H6ClF3N2/c12-10-8(11(13,14)15)6-9(16-17-10)7-4-2-1-3-5-7/h1-6H
InChIKeySLQZHZXZZKZBAO-UHFFFAOYSA-N
XLogP3.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.63
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-phenyl-4-(trifluoromethyl)pyridazine?
The IUPAC name of 3-chloro-6-phenyl-4-(trifluoromethyl)pyridazine (CID 10587337) is 3-chloro-6-phenyl-4-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-chloro-6-phenyl-4-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-chloro-6-phenyl-4-(trifluoromethyl)pyridazine is FC(F)(F)c1cc(-c2ccccc2)nnc1Cl.
What is the InChIKey of 3-chloro-6-phenyl-4-(trifluoromethyl)pyridazine?
The InChIKey is SLQZHZXZZKZBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2/c12-10-8(11(13,14)15)6-9(16-17-10)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 3-chloro-6-phenyl-4-(trifluoromethyl)pyridazine?
3-chloro-6-phenyl-4-(trifluoromethyl)pyridazine has a molecular weight of 258.63 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-phenyl-4-(trifluoromethyl)pyridazine is sourced from PubChem (CID 10587337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).