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

C16H15ClF3N3 — CID 15124646

IUPAC3-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridazine
SMILESFC(F)(F)c1cccc(C2CCN(c3ccc(Cl)nn3)CC2)c1
InChIInChI=1S/C16H15ClF3N3/c17-14-4-5-15(22-21-14)23-8-6-11(7-9-23)12-2-1-3-13(10-12)16(18,19)20/h1-5,10-11H,6-9H2
InChIKeyQMSQKGBLGDTYJD-UHFFFAOYSA-N
MW341.76 g/mol
LogP4.53
Rot. Bonds2

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

3-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridazine (PubChem CID 15124646) has the molecular formula C16H15ClF3N3 and a molecular weight of 341.76 g/mol. Its IUPAC name is 3-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridazine
PubChem CID15124646
Molecular FormulaC16H15ClF3N3
Molecular Weight341.76 g/mol
Exact Mass341.09
IUPAC Name3-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridazine
SMILESFC(F)(F)c1cccc(C2CCN(c3ccc(Cl)nn3)CC2)c1
InChIInChI=1S/C16H15ClF3N3/c17-14-4-5-15(22-21-14)23-8-6-11(7-9-23)12-2-1-3-13(10-12)16(18,19)20/h1-5,10-11H,6-9H2
InChIKeyQMSQKGBLGDTYJD-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
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-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridazine?
The IUPAC name of 3-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridazine (CID 15124646) is 3-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridazine.
What is the SMILES notation for 3-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridazine?
The canonical SMILES for 3-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridazine is FC(F)(F)c1cccc(C2CCN(c3ccc(Cl)nn3)CC2)c1.
What is the InChIKey of 3-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridazine?
The InChIKey is QMSQKGBLGDTYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3/c17-14-4-5-15(22-21-14)23-8-6-11(7-9-23)12-2-1-3-13(10-12)16(18,19)20/h1-5,10-11H,6-9H2.
What are the key properties of 3-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridazine?
3-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridazine has a molecular weight of 341.76 g/mol, XLogP of 4.53, 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-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridazine is sourced from PubChem (CID 15124646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).