2-methyl-4-(trifluoromethyl)-1,2-dihydropyridine

C7H8F3N — CID 129054060

IUPAC2-methyl-4-(trifluoromethyl)-1,2-dihydropyridine
SMILESCC1C=C(C(F)(F)F)C=CN1
InChIInChI=1S/C7H8F3N/c1-5-4-6(2-3-11-5)7(8,9)10/h2-5,11H,1H3
InChIKeyNFVBYJUGLYAGFV-UHFFFAOYSA-N
MW163.14 g/mol
LogP1.98
Rot. Bonds

About 2-methyl-4-(trifluoromethyl)-1,2-dihydropyridine

2-methyl-4-(trifluoromethyl)-1,2-dihydropyridine (PubChem CID 129054060) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)-1,2-dihydropyridine
PubChem CID129054060
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name2-methyl-4-(trifluoromethyl)-1,2-dihydropyridine
SMILESCC1C=C(C(F)(F)F)C=CN1
InChIInChI=1S/C7H8F3N/c1-5-4-6(2-3-11-5)7(8,9)10/h2-5,11H,1H3
InChIKeyNFVBYJUGLYAGFV-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Trifluoromethyl-1,2-dihydroazine
CID 18539792
2-Fluoropicoline
CID 69611625
Dihydropicoline
CID 5246423
2-Methyl picoline
CID 18347293
4-(Trifluoromethyl)-1,2-dihydropyridine
CID 18367699
5-(Trifluoromethyl)-1,2-dihydropyridine
CID 19363749
2-fluoro-2,3-dimethyl-1H-pyridine
CID 22615259
2-methylidene-4-(trifluoromethyl)-1H-pyridine
CID 57561963
2-(Fluoromethyl)-6-methyl-1,2-dihydropyridine
CID 70459541
(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073825
2-Fluoro-4-methyl-1,2-dihydropyridine
CID 89245132
(1E,3Z)-N,5-dimethyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 89302512

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)-1,2-dihydropyridine?
The IUPAC name of 2-methyl-4-(trifluoromethyl)-1,2-dihydropyridine (CID 129054060) is 2-methyl-4-(trifluoromethyl)-1,2-dihydropyridine.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)-1,2-dihydropyridine?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)-1,2-dihydropyridine is CC1C=C(C(F)(F)F)C=CN1.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)-1,2-dihydropyridine?
The InChIKey is NFVBYJUGLYAGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c1-5-4-6(2-3-11-5)7(8,9)10/h2-5,11H,1H3.
What are the key properties of 2-methyl-4-(trifluoromethyl)-1,2-dihydropyridine?
2-methyl-4-(trifluoromethyl)-1,2-dihydropyridine has a molecular weight of 163.14 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)-1,2-dihydropyridine is sourced from PubChem (CID 129054060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).