2-methyl-3-(trifluoromethyl)-2,3-dihydropyridine

C7H8F3N — CID 154555451

IUPAC2-methyl-3-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC1N=CC=CC1C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-5-6(7(8,9)10)3-2-4-11-5/h2-6H,1H3
InChIKeyUILDNAWBLGCDLE-UHFFFAOYSA-N
MW163.14 g/mol
LogP2.19
Rot. Bonds

About 2-methyl-3-(trifluoromethyl)-2,3-dihydropyridine

2-methyl-3-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 154555451) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 2-methyl-3-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name2-methyl-3-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID154555451
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name2-methyl-3-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC1N=CC=CC1C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-5-6(7(8,9)10)3-2-4-11-5/h2-6H,1H3
InChIKeyUILDNAWBLGCDLE-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

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Related Compounds

3-Methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 67489736
(2S)-3-fluoro-2-methyl-2,3-dihydropyridine
CID 67991667
2-Fluoro-3-methyl-2,3-dihydropyridine
CID 68374972
6-Methyl-3-(trifluoromethyl)-3,4-dihydropyridine
CID 89130189
6-Methyl-4-(trifluoromethyl)-3,4-dihydropyridine
CID 89822863
5-Propan-2-yl-2-(trifluoromethyl)-2,5-dihydropyridine
CID 90841668
5-Methyl-2-(trifluoromethyl)-2,5-dihydropyridine
CID 90934958
2,5-Dimethyl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 123496912
4,5-Dimethyl-2-(trifluoromethyl)-2,5-dihydropyridine
CID 123682826
4-Methyl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 142076330
5-Propan-2-yl-2-(trifluoromethyl)-2,3-dihydropyridine
CID 142093065
5-Ethyl-2-(trifluoromethyl)-2,3-dihydropyridine
CID 143207610

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 2-methyl-3-(trifluoromethyl)-2,3-dihydropyridine (CID 154555451) is 2-methyl-3-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 2-methyl-3-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 2-methyl-3-(trifluoromethyl)-2,3-dihydropyridine is CC1N=CC=CC1C(F)(F)F.
What is the InChIKey of 2-methyl-3-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is UILDNAWBLGCDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c1-5-6(7(8,9)10)3-2-4-11-5/h2-6H,1H3.
What are the key properties of 2-methyl-3-(trifluoromethyl)-2,3-dihydropyridine?
2-methyl-3-(trifluoromethyl)-2,3-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 2-methyl-3-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 154555451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).