3-chloro-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyridazine

C16H15ClF3N3 — CID 88941876

IUPAC3-chloro-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyridazine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)nn2)ccc1N1CCCCC1
InChIInChI=1S/C16H15ClF3N3/c17-15-7-5-13(21-22-15)11-4-6-14(12(10-11)16(18,19)20)23-8-2-1-3-9-23/h4-7,10H,1-3,8-9H2
InChIKeyJBTPFIJJIKZPSQ-UHFFFAOYSA-N
MW341.76 g/mol
LogP4.81
Rot. Bonds2

About 3-chloro-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyridazine

3-chloro-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyridazine (PubChem CID 88941876) has the molecular formula C16H15ClF3N3 and a molecular weight of 341.76 g/mol. Its IUPAC name is 3-chloro-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyridazine
PubChem CID88941876
Molecular FormulaC16H15ClF3N3
Molecular Weight341.76 g/mol
Exact Mass341.09
IUPAC Name3-chloro-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyridazine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)nn2)ccc1N1CCCCC1
InChIInChI=1S/C16H15ClF3N3/c17-15-7-5-13(21-22-15)11-4-6-14(12(10-11)16(18,19)20)23-8-2-1-3-9-23/h4-7,10H,1-3,8-9H2
InChIKeyJBTPFIJJIKZPSQ-UHFFFAOYSA-N
XLogP4.81
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.76
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyridazine?
The IUPAC name of 3-chloro-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyridazine (CID 88941876) is 3-chloro-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyridazine?
The canonical SMILES for 3-chloro-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyridazine is FC(F)(F)c1cc(-c2ccc(Cl)nn2)ccc1N1CCCCC1.
What is the InChIKey of 3-chloro-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyridazine?
The InChIKey is JBTPFIJJIKZPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3/c17-15-7-5-13(21-22-15)11-4-6-14(12(10-11)16(18,19)20)23-8-2-1-3-9-23/h4-7,10H,1-3,8-9H2.
What are the key properties of 3-chloro-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyridazine?
3-chloro-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyridazine has a molecular weight of 341.76 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyridazine is sourced from PubChem (CID 88941876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).