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

C12H8ClF3N2 — CID 91578216

IUPAC3-chloro-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
SMILESCc1cc(-c2cccc(C(F)(F)F)c2)c(Cl)nn1
InChIInChI=1S/C12H8ClF3N2/c1-7-5-10(11(13)18-17-7)8-3-2-4-9(6-8)12(14,15)16/h2-6H,1H3
InChIKeyASOYSUGRYLZGEZ-UHFFFAOYSA-N
MW272.66 g/mol
LogP4.12
Rot. Bonds1

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

3-chloro-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine (PubChem CID 91578216) has the molecular formula C12H8ClF3N2 and a molecular weight of 272.66 g/mol. Its IUPAC name is 3-chloro-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
PubChem CID91578216
Molecular FormulaC12H8ClF3N2
Molecular Weight272.66 g/mol
Exact Mass272.03
IUPAC Name3-chloro-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
SMILESCc1cc(-c2cccc(C(F)(F)F)c2)c(Cl)nn1
InChIInChI=1S/C12H8ClF3N2/c1-7-5-10(11(13)18-17-7)8-3-2-4-9(6-8)12(14,15)16/h2-6H,1H3
InChIKeyASOYSUGRYLZGEZ-UHFFFAOYSA-N
XLogP4.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.66
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine?
The IUPAC name of 3-chloro-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine (CID 91578216) is 3-chloro-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine.
What is the SMILES notation for 3-chloro-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine?
The canonical SMILES for 3-chloro-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine is Cc1cc(-c2cccc(C(F)(F)F)c2)c(Cl)nn1.
What is the InChIKey of 3-chloro-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine?
The InChIKey is ASOYSUGRYLZGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2/c1-7-5-10(11(13)18-17-7)8-3-2-4-9(6-8)12(14,15)16/h2-6H,1H3.
What are the key properties of 3-chloro-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine?
3-chloro-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine has a molecular weight of 272.66 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine is sourced from PubChem (CID 91578216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).