3-chloro-4-(2-chloro-6-fluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine

C17H18Cl2FN3 — CID 25220934

IUPAC3-chloro-4-(2-chloro-6-fluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine
SMILESCc1nnc(Cl)c(-c2c(F)cccc2Cl)c1N1CCC(C)CC1
InChIInChI=1S/C17H18Cl2FN3/c1-10-6-8-23(9-7-10)16-11(2)21-22-17(19)15(16)14-12(18)4-3-5-13(14)20/h3-5,10H,6-9H2,1-2H3
InChIKeyBDBGPAIPPACHBT-UHFFFAOYSA-N
MW354.26 g/mol
LogP5.13
Rot. Bonds2

About 3-chloro-4-(2-chloro-6-fluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine

3-chloro-4-(2-chloro-6-fluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine (PubChem CID 25220934) has the molecular formula C17H18Cl2FN3 and a molecular weight of 354.26 g/mol. Its IUPAC name is 3-chloro-4-(2-chloro-6-fluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-4-(2-chloro-6-fluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine
PubChem CID25220934
Molecular FormulaC17H18Cl2FN3
Molecular Weight354.26 g/mol
Exact Mass353.09
IUPAC Name3-chloro-4-(2-chloro-6-fluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine
SMILESCc1nnc(Cl)c(-c2c(F)cccc2Cl)c1N1CCC(C)CC1
InChIInChI=1S/C17H18Cl2FN3/c1-10-6-8-23(9-7-10)16-11(2)21-22-17(19)15(16)14-12(18)4-3-5-13(14)20/h3-5,10H,6-9H2,1-2H3
InChIKeyBDBGPAIPPACHBT-UHFFFAOYSA-N
XLogP5.13
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.26
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-chloro-6-fluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine?
The IUPAC name of 3-chloro-4-(2-chloro-6-fluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine (CID 25220934) is 3-chloro-4-(2-chloro-6-fluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine.
What is the SMILES notation for 3-chloro-4-(2-chloro-6-fluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine?
The canonical SMILES for 3-chloro-4-(2-chloro-6-fluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine is Cc1nnc(Cl)c(-c2c(F)cccc2Cl)c1N1CCC(C)CC1.
What is the InChIKey of 3-chloro-4-(2-chloro-6-fluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine?
The InChIKey is BDBGPAIPPACHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2FN3/c1-10-6-8-23(9-7-10)16-11(2)21-22-17(19)15(16)14-12(18)4-3-5-13(14)20/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 3-chloro-4-(2-chloro-6-fluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine?
3-chloro-4-(2-chloro-6-fluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine has a molecular weight of 354.26 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-chloro-6-fluorophenyl)-6-methyl-5-(4-methylpiperidin-1-yl)pyridazine is sourced from PubChem (CID 25220934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).