3-(2,3-dichlorophenyl)-6-piperidin-1-ylpyridazine

C15H15Cl2N3 — CID 46226408

IUPAC3-(2,3-dichlorophenyl)-6-piperidin-1-ylpyridazine
SMILESClc1cccc(-c2ccc(N3CCCCC3)nn2)c1Cl
InChIInChI=1S/C15H15Cl2N3/c16-12-6-4-5-11(15(12)17)13-7-8-14(19-18-13)20-9-2-1-3-10-20/h4-8H,1-3,9-10H2
InChIKeyKQCWQCHLUNUWFI-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.44
Rot. Bonds2

About 3-(2,3-dichlorophenyl)-6-piperidin-1-ylpyridazine

3-(2,3-dichlorophenyl)-6-piperidin-1-ylpyridazine (PubChem CID 46226408) has the molecular formula C15H15Cl2N3 and a molecular weight of 308.21 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-6-piperidin-1-ylpyridazine.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-6-piperidin-1-ylpyridazine
PubChem CID46226408
Molecular FormulaC15H15Cl2N3
Molecular Weight308.21 g/mol
Exact Mass307.06
IUPAC Name3-(2,3-dichlorophenyl)-6-piperidin-1-ylpyridazine
SMILESClc1cccc(-c2ccc(N3CCCCC3)nn2)c1Cl
InChIInChI=1S/C15H15Cl2N3/c16-12-6-4-5-11(15(12)17)13-7-8-14(19-18-13)20-9-2-1-3-10-20/h4-8H,1-3,9-10H2
InChIKeyKQCWQCHLUNUWFI-UHFFFAOYSA-N
XLogP4.44
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-6-piperidin-1-ylpyridazine?
The IUPAC name of 3-(2,3-dichlorophenyl)-6-piperidin-1-ylpyridazine (CID 46226408) is 3-(2,3-dichlorophenyl)-6-piperidin-1-ylpyridazine.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-6-piperidin-1-ylpyridazine?
The canonical SMILES for 3-(2,3-dichlorophenyl)-6-piperidin-1-ylpyridazine is Clc1cccc(-c2ccc(N3CCCCC3)nn2)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-6-piperidin-1-ylpyridazine?
The InChIKey is KQCWQCHLUNUWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3/c16-12-6-4-5-11(15(12)17)13-7-8-14(19-18-13)20-9-2-1-3-10-20/h4-8H,1-3,9-10H2.
What are the key properties of 3-(2,3-dichlorophenyl)-6-piperidin-1-ylpyridazine?
3-(2,3-dichlorophenyl)-6-piperidin-1-ylpyridazine has a molecular weight of 308.21 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-6-piperidin-1-ylpyridazine is sourced from PubChem (CID 46226408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).