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

C6H4ClF3N2 — CID 130683165

IUPAC3-chloro-4-methyl-6-(trifluoromethyl)pyridazine
SMILESCc1cc(C(F)(F)F)nnc1Cl
InChIInChI=1S/C6H4ClF3N2/c1-3-2-4(6(8,9)10)11-12-5(3)7/h2H,1H3
InChIKeyRVCBRCZEQQLLED-UHFFFAOYSA-N
MW196.56 g/mol
LogP2.46
Rot. Bonds

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

3-chloro-4-methyl-6-(trifluoromethyl)pyridazine (PubChem CID 130683165) has the molecular formula C6H4ClF3N2 and a molecular weight of 196.56 g/mol. Its IUPAC name is 3-chloro-4-methyl-6-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-chloro-4-methyl-6-(trifluoromethyl)pyridazine
PubChem CID130683165
Molecular FormulaC6H4ClF3N2
Molecular Weight196.56 g/mol
Exact Mass196.00
IUPAC Name3-chloro-4-methyl-6-(trifluoromethyl)pyridazine
SMILESCc1cc(C(F)(F)F)nnc1Cl
InChIInChI=1S/C6H4ClF3N2/c1-3-2-4(6(8,9)10)11-12-5(3)7/h2H,1H3
InChIKeyRVCBRCZEQQLLED-UHFFFAOYSA-N
XLogP2.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.56
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Chloro-6-phenylpyridazine
CID 88515
3-Chloro-6-methylpyridazine
CID 227254
4-Chloro-3,6-dimethylpyridazine
CID 12440099
3-Chloro-6-[3-(trifluoromethyl)phenyl]pyridazine
CID 12449552
3-Chloro-6-(trifluoromethyl)pyridazine
CID 28242526
3-Chloro-6-(4-fluorophenyl)pyridazine
CID 6422444
3-Chloro-6-methyl-4-(trifluoromethyl)pyridazine
CID 12027514
3-tert-Butyl-6-chloropyridazine
CID 13499979
3-Chloro-6-(propan-2-yl)pyridazine
CID 17804555
3-Chloro-6-ethylpyridazine
CID 20539495
3-Chloro-6-(chloromethyl)pyridazine
CID 22498639
3-chloro-5H,6H,7H-cyclopenta(c)pyridazine
CID 24944454

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-6-(trifluoromethyl)pyridazine?
The IUPAC name of 3-chloro-4-methyl-6-(trifluoromethyl)pyridazine (CID 130683165) is 3-chloro-4-methyl-6-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-chloro-4-methyl-6-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-chloro-4-methyl-6-(trifluoromethyl)pyridazine is Cc1cc(C(F)(F)F)nnc1Cl.
What is the InChIKey of 3-chloro-4-methyl-6-(trifluoromethyl)pyridazine?
The InChIKey is RVCBRCZEQQLLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2/c1-3-2-4(6(8,9)10)11-12-5(3)7/h2H,1H3.
What are the key properties of 3-chloro-4-methyl-6-(trifluoromethyl)pyridazine?
3-chloro-4-methyl-6-(trifluoromethyl)pyridazine has a molecular weight of 196.56 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-6-(trifluoromethyl)pyridazine is sourced from PubChem (CID 130683165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).