4-(4-chlorophenyl)-3,6-dimethyl-5-(2,4,6-trifluorophenyl)pyridazine

C18H12ClF3N2 — CID 11653176

IUPAC4-(4-chlorophenyl)-3,6-dimethyl-5-(2,4,6-trifluorophenyl)pyridazine
SMILESCc1nnc(C)c(-c2c(F)cc(F)cc2F)c1-c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClF3N2/c1-9-16(11-3-5-12(19)6-4-11)17(10(2)24-23-9)18-14(21)7-13(20)8-15(18)22/h3-8H,1-2H3
InChIKeyLTNFJNSFKOZRJE-UHFFFAOYSA-N
MW348.76 g/mol
LogP5.50
Rot. Bonds2

About 4-(4-chlorophenyl)-3,6-dimethyl-5-(2,4,6-trifluorophenyl)pyridazine

4-(4-chlorophenyl)-3,6-dimethyl-5-(2,4,6-trifluorophenyl)pyridazine (PubChem CID 11653176) has the molecular formula C18H12ClF3N2 and a molecular weight of 348.76 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3,6-dimethyl-5-(2,4,6-trifluorophenyl)pyridazine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3,6-dimethyl-5-(2,4,6-trifluorophenyl)pyridazine
PubChem CID11653176
Molecular FormulaC18H12ClF3N2
Molecular Weight348.76 g/mol
Exact Mass348.06
IUPAC Name4-(4-chlorophenyl)-3,6-dimethyl-5-(2,4,6-trifluorophenyl)pyridazine
SMILESCc1nnc(C)c(-c2c(F)cc(F)cc2F)c1-c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClF3N2/c1-9-16(11-3-5-12(19)6-4-11)17(10(2)24-23-9)18-14(21)7-13(20)8-15(18)22/h3-8H,1-2H3
InChIKeyLTNFJNSFKOZRJE-UHFFFAOYSA-N
XLogP5.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.76
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3,6-dimethyl-5-(2,4,6-trifluorophenyl)pyridazine?
The IUPAC name of 4-(4-chlorophenyl)-3,6-dimethyl-5-(2,4,6-trifluorophenyl)pyridazine (CID 11653176) is 4-(4-chlorophenyl)-3,6-dimethyl-5-(2,4,6-trifluorophenyl)pyridazine.
What is the SMILES notation for 4-(4-chlorophenyl)-3,6-dimethyl-5-(2,4,6-trifluorophenyl)pyridazine?
The canonical SMILES for 4-(4-chlorophenyl)-3,6-dimethyl-5-(2,4,6-trifluorophenyl)pyridazine is Cc1nnc(C)c(-c2c(F)cc(F)cc2F)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-3,6-dimethyl-5-(2,4,6-trifluorophenyl)pyridazine?
The InChIKey is LTNFJNSFKOZRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N2/c1-9-16(11-3-5-12(19)6-4-11)17(10(2)24-23-9)18-14(21)7-13(20)8-15(18)22/h3-8H,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-3,6-dimethyl-5-(2,4,6-trifluorophenyl)pyridazine?
4-(4-chlorophenyl)-3,6-dimethyl-5-(2,4,6-trifluorophenyl)pyridazine has a molecular weight of 348.76 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3,6-dimethyl-5-(2,4,6-trifluorophenyl)pyridazine is sourced from PubChem (CID 11653176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).