4-(5-chloro-2-ethyl-4-fluorophenyl)pyridazine

C12H10ClFN2 — CID 126486743

IUPAC4-(5-chloro-2-ethyl-4-fluorophenyl)pyridazine
SMILESCCc1cc(F)c(Cl)cc1-c1ccnnc1
InChIInChI=1S/C12H10ClFN2/c1-2-8-5-12(14)11(13)6-10(8)9-3-4-15-16-7-9/h3-7H,2H2,1H3
InChIKeyVPKZEPGACAIYTR-UHFFFAOYSA-N
MW236.68 g/mol
LogP3.50
Rot. Bonds2

About 4-(5-chloro-2-ethyl-4-fluorophenyl)pyridazine

4-(5-chloro-2-ethyl-4-fluorophenyl)pyridazine (PubChem CID 126486743) has the molecular formula C12H10ClFN2 and a molecular weight of 236.68 g/mol. Its IUPAC name is 4-(5-chloro-2-ethyl-4-fluorophenyl)pyridazine.

Molecular Properties

Compound Name4-(5-chloro-2-ethyl-4-fluorophenyl)pyridazine
PubChem CID126486743
Molecular FormulaC12H10ClFN2
Molecular Weight236.68 g/mol
Exact Mass236.05
IUPAC Name4-(5-chloro-2-ethyl-4-fluorophenyl)pyridazine
SMILESCCc1cc(F)c(Cl)cc1-c1ccnnc1
InChIInChI=1S/C12H10ClFN2/c1-2-8-5-12(14)11(13)6-10(8)9-3-4-15-16-7-9/h3-7H,2H2,1H3
InChIKeyVPKZEPGACAIYTR-UHFFFAOYSA-N
XLogP3.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-ethyl-4-fluorophenyl)pyridazine?
The IUPAC name of 4-(5-chloro-2-ethyl-4-fluorophenyl)pyridazine (CID 126486743) is 4-(5-chloro-2-ethyl-4-fluorophenyl)pyridazine.
What is the SMILES notation for 4-(5-chloro-2-ethyl-4-fluorophenyl)pyridazine?
The canonical SMILES for 4-(5-chloro-2-ethyl-4-fluorophenyl)pyridazine is CCc1cc(F)c(Cl)cc1-c1ccnnc1.
What is the InChIKey of 4-(5-chloro-2-ethyl-4-fluorophenyl)pyridazine?
The InChIKey is VPKZEPGACAIYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2/c1-2-8-5-12(14)11(13)6-10(8)9-3-4-15-16-7-9/h3-7H,2H2,1H3.
What are the key properties of 4-(5-chloro-2-ethyl-4-fluorophenyl)pyridazine?
4-(5-chloro-2-ethyl-4-fluorophenyl)pyridazine has a molecular weight of 236.68 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-ethyl-4-fluorophenyl)pyridazine is sourced from PubChem (CID 126486743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).