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

C7H8F3N — CID 138629227

IUPAC3-methyl-5-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC1C=C(C(F)(F)F)C=NC1
InChIInChI=1S/C7H8F3N/c1-5-2-6(4-11-3-5)7(8,9)10/h2,4-5H,3H2,1H3
InChIKeyCLBAGLVRJRBGSR-UHFFFAOYSA-N
MW163.14 g/mol
LogP2.20
Rot. Bonds

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

3-methyl-5-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 138629227) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID138629227
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name3-methyl-5-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC1C=C(C(F)(F)F)C=NC1
InChIInChI=1S/C7H8F3N/c1-5-2-6(4-11-3-5)7(8,9)10/h2,4-5H,3H2,1H3
InChIKeyCLBAGLVRJRBGSR-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 3-methyl-5-(trifluoromethyl)-2,3-dihydropyridine (CID 138629227) is 3-methyl-5-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)-2,3-dihydropyridine is CC1C=C(C(F)(F)F)C=NC1.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is CLBAGLVRJRBGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c1-5-2-6(4-11-3-5)7(8,9)10/h2,4-5H,3H2,1H3.
What are the key properties of 3-methyl-5-(trifluoromethyl)-2,3-dihydropyridine?
3-methyl-5-(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 163.14 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 138629227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).