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

C12H9F3N2 — CID 10537871

IUPAC3-methyl-6-[3-(trifluoromethyl)phenyl]pyridazine
SMILESCc1ccc(-c2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C12H9F3N2/c1-8-5-6-11(17-16-8)9-3-2-4-10(7-9)12(13,14)15/h2-7H,1H3
InChIKeyLAHKKYITFYHJTF-UHFFFAOYSA-N
MW238.21 g/mol
LogP3.47
Rot. Bonds1

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

3-methyl-6-[3-(trifluoromethyl)phenyl]pyridazine (PubChem CID 10537871) has the molecular formula C12H9F3N2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 3-methyl-6-[3-(trifluoromethyl)phenyl]pyridazine.

Molecular Properties

Compound Name3-methyl-6-[3-(trifluoromethyl)phenyl]pyridazine
PubChem CID10537871
Molecular FormulaC12H9F3N2
Molecular Weight238.21 g/mol
Exact Mass238.07
IUPAC Name3-methyl-6-[3-(trifluoromethyl)phenyl]pyridazine
SMILESCc1ccc(-c2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C12H9F3N2/c1-8-5-6-11(17-16-8)9-3-2-4-10(7-9)12(13,14)15/h2-7H,1H3
InChIKeyLAHKKYITFYHJTF-UHFFFAOYSA-N
XLogP3.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[3-(trifluoromethyl)phenyl]pyridazine?
The IUPAC name of 3-methyl-6-[3-(trifluoromethyl)phenyl]pyridazine (CID 10537871) is 3-methyl-6-[3-(trifluoromethyl)phenyl]pyridazine.
What is the SMILES notation for 3-methyl-6-[3-(trifluoromethyl)phenyl]pyridazine?
The canonical SMILES for 3-methyl-6-[3-(trifluoromethyl)phenyl]pyridazine is Cc1ccc(-c2cccc(C(F)(F)F)c2)nn1.
What is the InChIKey of 3-methyl-6-[3-(trifluoromethyl)phenyl]pyridazine?
The InChIKey is LAHKKYITFYHJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2/c1-8-5-6-11(17-16-8)9-3-2-4-10(7-9)12(13,14)15/h2-7H,1H3.
What are the key properties of 3-methyl-6-[3-(trifluoromethyl)phenyl]pyridazine?
3-methyl-6-[3-(trifluoromethyl)phenyl]pyridazine has a molecular weight of 238.21 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[3-(trifluoromethyl)phenyl]pyridazine is sourced from PubChem (CID 10537871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).