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

C11H13ClF3N3 — CID 104513770

IUPAC3-chloro-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridazine
SMILESFC(F)(F)C1CCN(Cc2ccc(Cl)nn2)CC1
InChIInChI=1S/C11H13ClF3N3/c12-10-2-1-9(16-17-10)7-18-5-3-8(4-6-18)11(13,14)15/h1-2,8H,3-7H2
InChIKeyKIZZHIIRFKQADP-UHFFFAOYSA-N
MW279.69 g/mol
LogP2.90
Rot. Bonds2

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

3-chloro-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridazine (PubChem CID 104513770) has the molecular formula C11H13ClF3N3 and a molecular weight of 279.69 g/mol. Its IUPAC name is 3-chloro-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridazine
PubChem CID104513770
Molecular FormulaC11H13ClF3N3
Molecular Weight279.69 g/mol
Exact Mass279.08
IUPAC Name3-chloro-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridazine
SMILESFC(F)(F)C1CCN(Cc2ccc(Cl)nn2)CC1
InChIInChI=1S/C11H13ClF3N3/c12-10-2-1-9(16-17-10)7-18-5-3-8(4-6-18)11(13,14)15/h1-2,8H,3-7H2
InChIKeyKIZZHIIRFKQADP-UHFFFAOYSA-N
XLogP2.90
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 52.90
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-(trifluoromethyl)piperidin-1-yl]methyl]pyridazine?
The IUPAC name of 3-chloro-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridazine (CID 104513770) is 3-chloro-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridazine?
The canonical SMILES for 3-chloro-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridazine is FC(F)(F)C1CCN(Cc2ccc(Cl)nn2)CC1.
What is the InChIKey of 3-chloro-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridazine?
The InChIKey is KIZZHIIRFKQADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3/c12-10-2-1-9(16-17-10)7-18-5-3-8(4-6-18)11(13,14)15/h1-2,8H,3-7H2.
What are the key properties of 3-chloro-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridazine?
3-chloro-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridazine has a molecular weight of 279.69 g/mol, XLogP of 2.90, 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-(trifluoromethyl)piperidin-1-yl]methyl]pyridazine is sourced from PubChem (CID 104513770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).