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

C12H9F3N2 — CID 10657542

IUPAC5-methyl-3-[3-(trifluoromethyl)phenyl]pyridazine
SMILESCc1cnnc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C12H9F3N2/c1-8-5-11(17-16-7-8)9-3-2-4-10(6-9)12(13,14)15/h2-7H,1H3
InChIKeyKTYFHYVTXPJXSG-UHFFFAOYSA-N
MW238.21 g/mol
LogP3.47
Rot. Bonds1

About 5-methyl-3-[3-(trifluoromethyl)phenyl]pyridazine

5-methyl-3-[3-(trifluoromethyl)phenyl]pyridazine (PubChem CID 10657542) has the molecular formula C12H9F3N2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 5-methyl-3-[3-(trifluoromethyl)phenyl]pyridazine.

Molecular Properties

Compound Name5-methyl-3-[3-(trifluoromethyl)phenyl]pyridazine
PubChem CID10657542
Molecular FormulaC12H9F3N2
Molecular Weight238.21 g/mol
Exact Mass238.07
IUPAC Name5-methyl-3-[3-(trifluoromethyl)phenyl]pyridazine
SMILESCc1cnnc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C12H9F3N2/c1-8-5-11(17-16-7-8)9-3-2-4-10(6-9)12(13,14)15/h2-7H,1H3
InChIKeyKTYFHYVTXPJXSG-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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Related Compounds

4-Methylcinnoline
CID 26843
3-Phenylpyridazine
CID 193499
3-Methyl-5-phenylpyridazine
CID 2736934
3-[6-(3,4-Difluoro-phenyl)-pyridazin-4-yl]-benzonitrile
CID 10379616
3-(6-Phenyl-pyridazin-4-yl)-benzonitrile
CID 10400221
3-[6-(3-Fluoro-phenyl)-pyridazin-4-yl]-benzonitrile
CID 10401160
3-[6-(2-Fluoro-phenyl)-pyridazin-4-yl]-benzonitrile
CID 10401161
3-[6-(4-Fluoro-phenyl)-pyridazin-4-yl]-benzonitrile
CID 10401162
3-[6-(2,4-Difluoro-phenyl)-pyridazin-4-yl]-benzonitrile
CID 10424461
3,5-Diphenylpyridazine
CID 10443943
NBI-2 (non-labeled)
CID 11702115
3,4-Dimethylpyridazine
CID 12440095

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[3-(trifluoromethyl)phenyl]pyridazine?
The IUPAC name of 5-methyl-3-[3-(trifluoromethyl)phenyl]pyridazine (CID 10657542) is 5-methyl-3-[3-(trifluoromethyl)phenyl]pyridazine.
What is the SMILES notation for 5-methyl-3-[3-(trifluoromethyl)phenyl]pyridazine?
The canonical SMILES for 5-methyl-3-[3-(trifluoromethyl)phenyl]pyridazine is Cc1cnnc(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 5-methyl-3-[3-(trifluoromethyl)phenyl]pyridazine?
The InChIKey is KTYFHYVTXPJXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2/c1-8-5-11(17-16-7-8)9-3-2-4-10(6-9)12(13,14)15/h2-7H,1H3.
What are the key properties of 5-methyl-3-[3-(trifluoromethyl)phenyl]pyridazine?
5-methyl-3-[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 5-methyl-3-[3-(trifluoromethyl)phenyl]pyridazine is sourced from PubChem (CID 10657542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).