3,6-dichloro-4-piperidin-1-ylpyridazine

C9H11Cl2N3 — CID 6401291

IUPAC3,6-dichloro-4-piperidin-1-ylpyridazine
SMILESClc1cc(N2CCCCC2)c(Cl)nn1
InChIInChI=1S/C9H11Cl2N3/c10-8-6-7(9(11)13-12-8)14-4-2-1-3-5-14/h6H,1-5H2
InChIKeyJGSDXYKPYCBWRI-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.77
Rot. Bonds1

About 3,6-dichloro-4-piperidin-1-ylpyridazine

3,6-dichloro-4-piperidin-1-ylpyridazine (PubChem CID 6401291) has the molecular formula C9H11Cl2N3 and a molecular weight of 232.11 g/mol. Its IUPAC name is 3,6-dichloro-4-piperidin-1-ylpyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-piperidin-1-ylpyridazine
PubChem CID6401291
Molecular FormulaC9H11Cl2N3
Molecular Weight232.11 g/mol
Exact Mass231.03
IUPAC Name3,6-dichloro-4-piperidin-1-ylpyridazine
SMILESClc1cc(N2CCCCC2)c(Cl)nn1
InChIInChI=1S/C9H11Cl2N3/c10-8-6-7(9(11)13-12-8)14-4-2-1-3-5-14/h6H,1-5H2
InChIKeyJGSDXYKPYCBWRI-UHFFFAOYSA-N
XLogP2.77
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.77
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-piperidin-1-ylpyridazine?
The IUPAC name of 3,6-dichloro-4-piperidin-1-ylpyridazine (CID 6401291) is 3,6-dichloro-4-piperidin-1-ylpyridazine.
What is the SMILES notation for 3,6-dichloro-4-piperidin-1-ylpyridazine?
The canonical SMILES for 3,6-dichloro-4-piperidin-1-ylpyridazine is Clc1cc(N2CCCCC2)c(Cl)nn1.
What is the InChIKey of 3,6-dichloro-4-piperidin-1-ylpyridazine?
The InChIKey is JGSDXYKPYCBWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3/c10-8-6-7(9(11)13-12-8)14-4-2-1-3-5-14/h6H,1-5H2.
What are the key properties of 3,6-dichloro-4-piperidin-1-ylpyridazine?
3,6-dichloro-4-piperidin-1-ylpyridazine has a molecular weight of 232.11 g/mol, XLogP of 2.77, 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-piperidin-1-ylpyridazine is sourced from PubChem (CID 6401291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).