5-methyl-2-(trifluoromethyl)-2,5-dihydropyridine

C7H8F3N — CID 90934958

IUPAC5-methyl-2-(trifluoromethyl)-2,5-dihydropyridine
SMILESCC1C=CC(C(F)(F)F)N=C1
InChIInChI=1S/C7H8F3N/c1-5-2-3-6(11-4-5)7(8,9)10/h2-6H,1H3
InChIKeyMBAKCJNSILHGOV-UHFFFAOYSA-N
MW163.14 g/mol
LogP2.19
Rot. Bonds

About 5-methyl-2-(trifluoromethyl)-2,5-dihydropyridine

5-methyl-2-(trifluoromethyl)-2,5-dihydropyridine (PubChem CID 90934958) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 5-methyl-2-(trifluoromethyl)-2,5-dihydropyridine.

Molecular Properties

Compound Name5-methyl-2-(trifluoromethyl)-2,5-dihydropyridine
PubChem CID90934958
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name5-methyl-2-(trifluoromethyl)-2,5-dihydropyridine
SMILESCC1C=CC(C(F)(F)F)N=C1
InChIInChI=1S/C7H8F3N/c1-5-2-3-6(11-4-5)7(8,9)10/h2-6H,1H3
InChIKeyMBAKCJNSILHGOV-UHFFFAOYSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-methyl-2-(trifluoromethyl)-2,5-dihydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Propan-2-yl-2-(trifluoromethyl)-2,5-dihydropyridine
CID 90841668
(2S)-3-fluoro-2-(trifluoromethyl)-2,5-dihydropyridine
CID 91526473
(2S)-2-(trifluoromethyl)-2,5-dihydropyridine
CID 91580648
4,5-Dimethyl-2-(trifluoromethyl)-2,5-dihydropyridine
CID 123682826
(6E)-2-methyl-7-(trifluoromethyl)-2,5-dihydroazocine
CID 137467897
(2R)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 166894121
N-[(Z)-2,2-difluorohex-4-en-3-yl]ethanimine
CID 173908945
2-Methyl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 154555451
5-Methyl-2,5-dihydropyridine
CID 57146774
2-Methyl-2,5-dihydropyridine
CID 68099548
2,5-Dimethyl-2,5-dihydropyridine
CID 123416148
2,5-Dimethyl-2,5-dihydropyridine;ethane
CID 145385713

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(trifluoromethyl)-2,5-dihydropyridine?
The IUPAC name of 5-methyl-2-(trifluoromethyl)-2,5-dihydropyridine (CID 90934958) is 5-methyl-2-(trifluoromethyl)-2,5-dihydropyridine.
What is the SMILES notation for 5-methyl-2-(trifluoromethyl)-2,5-dihydropyridine?
The canonical SMILES for 5-methyl-2-(trifluoromethyl)-2,5-dihydropyridine is CC1C=CC(C(F)(F)F)N=C1.
What is the InChIKey of 5-methyl-2-(trifluoromethyl)-2,5-dihydropyridine?
The InChIKey is MBAKCJNSILHGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c1-5-2-3-6(11-4-5)7(8,9)10/h2-6H,1H3.
What are the key properties of 5-methyl-2-(trifluoromethyl)-2,5-dihydropyridine?
5-methyl-2-(trifluoromethyl)-2,5-dihydropyridine has a molecular weight of 163.14 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(trifluoromethyl)-2,5-dihydropyridine is sourced from PubChem (CID 90934958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).