3-methyl-6-(trifluoromethyl)pyridazine

C6H5F3N2 — CID 20691950

IUPAC3-methyl-6-(trifluoromethyl)pyridazine
SMILESCc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C6H5F3N2/c1-4-2-3-5(11-10-4)6(7,8)9/h2-3H,1H3
InChIKeyKYJDVSWQDDEOGP-UHFFFAOYSA-N
MW162.11 g/mol
LogP1.80
Rot. Bonds

About 3-methyl-6-(trifluoromethyl)pyridazine

3-methyl-6-(trifluoromethyl)pyridazine (PubChem CID 20691950) has the molecular formula C6H5F3N2 and a molecular weight of 162.11 g/mol. Its IUPAC name is 3-methyl-6-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-methyl-6-(trifluoromethyl)pyridazine
PubChem CID20691950
Molecular FormulaC6H5F3N2
Molecular Weight162.11 g/mol
Exact Mass162.04
IUPAC Name3-methyl-6-(trifluoromethyl)pyridazine
SMILESCc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C6H5F3N2/c1-4-2-3-5(11-10-4)6(7,8)9/h2-3H,1H3
InChIKeyKYJDVSWQDDEOGP-UHFFFAOYSA-N
XLogP1.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.11
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(trifluoromethyl)pyridazine?
The IUPAC name of 3-methyl-6-(trifluoromethyl)pyridazine (CID 20691950) is 3-methyl-6-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-methyl-6-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-methyl-6-(trifluoromethyl)pyridazine is Cc1ccc(C(F)(F)F)nn1.
What is the InChIKey of 3-methyl-6-(trifluoromethyl)pyridazine?
The InChIKey is KYJDVSWQDDEOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2/c1-4-2-3-5(11-10-4)6(7,8)9/h2-3H,1H3.
What are the key properties of 3-methyl-6-(trifluoromethyl)pyridazine?
3-methyl-6-(trifluoromethyl)pyridazine has a molecular weight of 162.11 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(trifluoromethyl)pyridazine is sourced from PubChem (CID 20691950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).