6-chloro-4-methyl-3-[4-(trifluoromethoxy)phenyl]pyridazine

C12H8ClF3N2O — CID 134543299

IUPAC6-chloro-4-methyl-3-[4-(trifluoromethoxy)phenyl]pyridazine
SMILESCc1cc(Cl)nnc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H8ClF3N2O/c1-7-6-10(13)17-18-11(7)8-2-4-9(5-3-8)19-12(14,15)16/h2-6H,1H3
InChIKeyYJGHXZAFANDLCI-UHFFFAOYSA-N
MW288.66 g/mol
LogP4.00
Rot. Bonds2

About 6-chloro-4-methyl-3-[4-(trifluoromethoxy)phenyl]pyridazine

6-chloro-4-methyl-3-[4-(trifluoromethoxy)phenyl]pyridazine (PubChem CID 134543299) has the molecular formula C12H8ClF3N2O and a molecular weight of 288.66 g/mol. Its IUPAC name is 6-chloro-4-methyl-3-[4-(trifluoromethoxy)phenyl]pyridazine.

Molecular Properties

Compound Name6-chloro-4-methyl-3-[4-(trifluoromethoxy)phenyl]pyridazine
PubChem CID134543299
Molecular FormulaC12H8ClF3N2O
Molecular Weight288.66 g/mol
Exact Mass288.03
IUPAC Name6-chloro-4-methyl-3-[4-(trifluoromethoxy)phenyl]pyridazine
SMILESCc1cc(Cl)nnc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H8ClF3N2O/c1-7-6-10(13)17-18-11(7)8-2-4-9(5-3-8)19-12(14,15)16/h2-6H,1H3
InChIKeyYJGHXZAFANDLCI-UHFFFAOYSA-N
XLogP4.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.66
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-3-[4-(trifluoromethoxy)phenyl]pyridazine?
The IUPAC name of 6-chloro-4-methyl-3-[4-(trifluoromethoxy)phenyl]pyridazine (CID 134543299) is 6-chloro-4-methyl-3-[4-(trifluoromethoxy)phenyl]pyridazine.
What is the SMILES notation for 6-chloro-4-methyl-3-[4-(trifluoromethoxy)phenyl]pyridazine?
The canonical SMILES for 6-chloro-4-methyl-3-[4-(trifluoromethoxy)phenyl]pyridazine is Cc1cc(Cl)nnc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 6-chloro-4-methyl-3-[4-(trifluoromethoxy)phenyl]pyridazine?
The InChIKey is YJGHXZAFANDLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O/c1-7-6-10(13)17-18-11(7)8-2-4-9(5-3-8)19-12(14,15)16/h2-6H,1H3.
What are the key properties of 6-chloro-4-methyl-3-[4-(trifluoromethoxy)phenyl]pyridazine?
6-chloro-4-methyl-3-[4-(trifluoromethoxy)phenyl]pyridazine has a molecular weight of 288.66 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-3-[4-(trifluoromethoxy)phenyl]pyridazine is sourced from PubChem (CID 134543299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).