2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine

C7H8F3N — CID 154523717

IUPAC2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC1CC=C(C(F)(F)F)C=N1
InChIInChI=1S/C7H8F3N/c1-5-2-3-6(4-11-5)7(8,9)10/h3-5H,2H2,1H3
InChIKeyBJCMSVHXOCUEKT-UHFFFAOYSA-N
MW163.14 g/mol
LogP2.34
Rot. Bonds

About 2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine

2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 154523717) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID154523717
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC1CC=C(C(F)(F)F)C=N1
InChIInChI=1S/C7H8F3N/c1-5-2-3-6(4-11-5)7(8,9)10/h3-5H,2H2,1H3
InChIKeyBJCMSVHXOCUEKT-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(trifluoromethyl)-3H-pyridin-1-ium
CID 57085904
5-(trifluoromethyl)-3H-pyridin-1-ium
CID 57189778
(2S)-5-fluoro-2-methyl-2,3-dihydropyridine
CID 67991616
3-Fluoro-5-methyl-2,3-dihydropyridine
CID 68083425
5-(Trifluoromethyl)-2,3-dihydropyridine
CID 68374416
5-Fluoro-2-methyl-2,3-dihydropyridine
CID 77393448
2-Ethyl-5-fluoro-2,3-dihydropyridine
CID 89742590
5-(Fluoromethyl)-2,3-dihydropyridine
CID 91586343
N-butan-2-yl-2-ethylidene-4-methyl-3-(trifluoromethyl)hex-3-en-1-imine
CID 123348293
2,5-Dimethyl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 123496912
4,5-Dimethyl-2-(trifluoromethyl)-2,5-dihydropyridine
CID 123682826
3-fluoro-2,2,5-trimethyl-3H-pyridine
CID 123896833

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine (CID 154523717) is 2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine is CC1CC=C(C(F)(F)F)C=N1.
What is the InChIKey of 2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is BJCMSVHXOCUEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c1-5-2-3-6(4-11-5)7(8,9)10/h3-5H,2H2,1H3.
What are the key properties of 2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine?
2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 163.14 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 154523717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).