5-methyl-2-methylidene-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridine

C13H12F3N — CID 146397212

IUPAC5-methyl-2-methylidene-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridine
SMILESC=C1CCC(C)=C(c2c(F)cc(F)cc2F)N1
InChIInChI=1S/C13H12F3N/c1-7-3-4-8(2)17-13(7)12-10(15)5-9(14)6-11(12)16/h5-6,17H,2-4H2,1H3
InChIKeyPCKCLDGRHJMVJZ-UHFFFAOYSA-N
MW239.24 g/mol
LogP3.73
Rot. Bonds1

About 5-methyl-2-methylidene-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridine

5-methyl-2-methylidene-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridine (PubChem CID 146397212) has the molecular formula C13H12F3N and a molecular weight of 239.24 g/mol. Its IUPAC name is 5-methyl-2-methylidene-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridine.

Molecular Properties

Compound Name5-methyl-2-methylidene-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridine
PubChem CID146397212
Molecular FormulaC13H12F3N
Molecular Weight239.24 g/mol
Exact Mass239.09
IUPAC Name5-methyl-2-methylidene-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridine
SMILESC=C1CCC(C)=C(c2c(F)cc(F)cc2F)N1
InChIInChI=1S/C13H12F3N/c1-7-3-4-8(2)17-13(7)12-10(15)5-9(14)6-11(12)16/h5-6,17H,2-4H2,1H3
InChIKeyPCKCLDGRHJMVJZ-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylidene-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridine?
The IUPAC name of 5-methyl-2-methylidene-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridine (CID 146397212) is 5-methyl-2-methylidene-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridine.
What is the SMILES notation for 5-methyl-2-methylidene-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridine?
The canonical SMILES for 5-methyl-2-methylidene-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridine is C=C1CCC(C)=C(c2c(F)cc(F)cc2F)N1.
What is the InChIKey of 5-methyl-2-methylidene-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridine?
The InChIKey is PCKCLDGRHJMVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N/c1-7-3-4-8(2)17-13(7)12-10(15)5-9(14)6-11(12)16/h5-6,17H,2-4H2,1H3.
What are the key properties of 5-methyl-2-methylidene-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridine?
5-methyl-2-methylidene-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridine has a molecular weight of 239.24 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylidene-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridine is sourced from PubChem (CID 146397212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).