3,6-dichloro-4-(4,4-difluoropiperidin-1-yl)pyridazine

C9H9Cl2F2N3 — CID 167436903

IUPAC3,6-dichloro-4-(4,4-difluoropiperidin-1-yl)pyridazine
SMILESFC1(F)CCN(c2cc(Cl)nnc2Cl)CC1
InChIInChI=1S/C9H9Cl2F2N3/c10-7-5-6(8(11)15-14-7)16-3-1-9(12,13)2-4-16/h5H,1-4H2
InChIKeyMGNOQLYLYVWPQW-UHFFFAOYSA-N
MW268.09 g/mol
LogP3.02
Rot. Bonds1

About 3,6-dichloro-4-(4,4-difluoropiperidin-1-yl)pyridazine

3,6-dichloro-4-(4,4-difluoropiperidin-1-yl)pyridazine (PubChem CID 167436903) has the molecular formula C9H9Cl2F2N3 and a molecular weight of 268.09 g/mol. Its IUPAC name is 3,6-dichloro-4-(4,4-difluoropiperidin-1-yl)pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-(4,4-difluoropiperidin-1-yl)pyridazine
PubChem CID167436903
Molecular FormulaC9H9Cl2F2N3
Molecular Weight268.09 g/mol
Exact Mass267.01
IUPAC Name3,6-dichloro-4-(4,4-difluoropiperidin-1-yl)pyridazine
SMILESFC1(F)CCN(c2cc(Cl)nnc2Cl)CC1
InChIInChI=1S/C9H9Cl2F2N3/c10-7-5-6(8(11)15-14-7)16-3-1-9(12,13)2-4-16/h5H,1-4H2
InChIKeyMGNOQLYLYVWPQW-UHFFFAOYSA-N
XLogP3.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.09
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-(4,4-difluoropiperidin-1-yl)pyridazine?
The IUPAC name of 3,6-dichloro-4-(4,4-difluoropiperidin-1-yl)pyridazine (CID 167436903) is 3,6-dichloro-4-(4,4-difluoropiperidin-1-yl)pyridazine.
What is the SMILES notation for 3,6-dichloro-4-(4,4-difluoropiperidin-1-yl)pyridazine?
The canonical SMILES for 3,6-dichloro-4-(4,4-difluoropiperidin-1-yl)pyridazine is FC1(F)CCN(c2cc(Cl)nnc2Cl)CC1.
What is the InChIKey of 3,6-dichloro-4-(4,4-difluoropiperidin-1-yl)pyridazine?
The InChIKey is MGNOQLYLYVWPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2F2N3/c10-7-5-6(8(11)15-14-7)16-3-1-9(12,13)2-4-16/h5H,1-4H2.
What are the key properties of 3,6-dichloro-4-(4,4-difluoropiperidin-1-yl)pyridazine?
3,6-dichloro-4-(4,4-difluoropiperidin-1-yl)pyridazine has a molecular weight of 268.09 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-(4,4-difluoropiperidin-1-yl)pyridazine is sourced from PubChem (CID 167436903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).