4-(5-chloro-4-fluoro-2-methylphenyl)pyridazine

C11H8ClFN2 — CID 123362330

IUPAC4-(5-chloro-4-fluoro-2-methylphenyl)pyridazine
SMILESCc1cc(F)c(Cl)cc1-c1ccnnc1
InChIInChI=1S/C11H8ClFN2/c1-7-4-11(13)10(12)5-9(7)8-2-3-14-15-6-8/h2-6H,1H3
InChIKeyCUPPFOATXKWKFK-UHFFFAOYSA-N
MW222.65 g/mol
LogP3.24
Rot. Bonds1

About 4-(5-chloro-4-fluoro-2-methylphenyl)pyridazine

4-(5-chloro-4-fluoro-2-methylphenyl)pyridazine (PubChem CID 123362330) has the molecular formula C11H8ClFN2 and a molecular weight of 222.65 g/mol. Its IUPAC name is 4-(5-chloro-4-fluoro-2-methylphenyl)pyridazine.

Molecular Properties

Compound Name4-(5-chloro-4-fluoro-2-methylphenyl)pyridazine
PubChem CID123362330
Molecular FormulaC11H8ClFN2
Molecular Weight222.65 g/mol
Exact Mass222.04
IUPAC Name4-(5-chloro-4-fluoro-2-methylphenyl)pyridazine
SMILESCc1cc(F)c(Cl)cc1-c1ccnnc1
InChIInChI=1S/C11H8ClFN2/c1-7-4-11(13)10(12)5-9(7)8-2-3-14-15-6-8/h2-6H,1H3
InChIKeyCUPPFOATXKWKFK-UHFFFAOYSA-N
XLogP3.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.65
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-4-fluoro-2-methylphenyl)pyridazine?
The IUPAC name of 4-(5-chloro-4-fluoro-2-methylphenyl)pyridazine (CID 123362330) is 4-(5-chloro-4-fluoro-2-methylphenyl)pyridazine.
What is the SMILES notation for 4-(5-chloro-4-fluoro-2-methylphenyl)pyridazine?
The canonical SMILES for 4-(5-chloro-4-fluoro-2-methylphenyl)pyridazine is Cc1cc(F)c(Cl)cc1-c1ccnnc1.
What is the InChIKey of 4-(5-chloro-4-fluoro-2-methylphenyl)pyridazine?
The InChIKey is CUPPFOATXKWKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2/c1-7-4-11(13)10(12)5-9(7)8-2-3-14-15-6-8/h2-6H,1H3.
What are the key properties of 4-(5-chloro-4-fluoro-2-methylphenyl)pyridazine?
4-(5-chloro-4-fluoro-2-methylphenyl)pyridazine has a molecular weight of 222.65 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-4-fluoro-2-methylphenyl)pyridazine is sourced from PubChem (CID 123362330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).