4-bromo-3-methyl-6-(trifluoromethyl)pyridazine

C6H4BrF3N2 — CID 91275540

IUPAC4-bromo-3-methyl-6-(trifluoromethyl)pyridazine
SMILESCc1nnc(C(F)(F)F)cc1Br
InChIInChI=1S/C6H4BrF3N2/c1-3-4(7)2-5(12-11-3)6(8,9)10/h2H,1H3
InChIKeyWNZBFSFGCPJIDA-UHFFFAOYSA-N
MW241.01 g/mol
LogP2.57
Rot. Bonds

About 4-bromo-3-methyl-6-(trifluoromethyl)pyridazine

4-bromo-3-methyl-6-(trifluoromethyl)pyridazine (PubChem CID 91275540) has the molecular formula C6H4BrF3N2 and a molecular weight of 241.01 g/mol. Its IUPAC name is 4-bromo-3-methyl-6-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name4-bromo-3-methyl-6-(trifluoromethyl)pyridazine
PubChem CID91275540
Molecular FormulaC6H4BrF3N2
Molecular Weight241.01 g/mol
Exact Mass239.95
IUPAC Name4-bromo-3-methyl-6-(trifluoromethyl)pyridazine
SMILESCc1nnc(C(F)(F)F)cc1Br
InChIInChI=1S/C6H4BrF3N2/c1-3-4(7)2-5(12-11-3)6(8,9)10/h2H,1H3
InChIKeyWNZBFSFGCPJIDA-UHFFFAOYSA-N
XLogP2.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.01
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-5-methyl-2-(trifluoromethyl)pyridine
CID 91757612
3-methyl-6-(trifluoromethyl)pyridazine
CID 20691950
CID 59355302
CID 59355302
3,6-dimethyl-4-(trifluoromethyl)pyridazine;ethane
CID 164557661
3-chloro-4-methoxy-6-(trifluoromethyl)pyridazine
CID 155242892
ethyl 2-[4-bromo-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133097919
4-bromo-5-(chloromethyl)-2-(trifluoromethyl)pyridine
CID 130893901
1,3-dibromo-2-methyl-5-(trifluoromethyl)benzene;ethane
CID 144858961
3-bromo-5-methyl-2-(trifluoromethyl)pyridine
CID 83919393
8-bromo-4-chloro-5-methyl-2-(trifluoromethyl)quinoline
CID 82766340
methyl 2-[4-bromo-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133097930
6-bromo-3-fluoro-2-methyl-4-(trifluoromethyl)pyridine
CID 83488601

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-6-(trifluoromethyl)pyridazine?
The IUPAC name of 4-bromo-3-methyl-6-(trifluoromethyl)pyridazine (CID 91275540) is 4-bromo-3-methyl-6-(trifluoromethyl)pyridazine.
What is the SMILES notation for 4-bromo-3-methyl-6-(trifluoromethyl)pyridazine?
The canonical SMILES for 4-bromo-3-methyl-6-(trifluoromethyl)pyridazine is Cc1nnc(C(F)(F)F)cc1Br.
What is the InChIKey of 4-bromo-3-methyl-6-(trifluoromethyl)pyridazine?
The InChIKey is WNZBFSFGCPJIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF3N2/c1-3-4(7)2-5(12-11-3)6(8,9)10/h2H,1H3.
What are the key properties of 4-bromo-3-methyl-6-(trifluoromethyl)pyridazine?
4-bromo-3-methyl-6-(trifluoromethyl)pyridazine has a molecular weight of 241.01 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-6-(trifluoromethyl)pyridazine is sourced from PubChem (CID 91275540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).