6-(2,6-difluorophenyl)-5-methyl-3,4-dihydropyridine

C12H11F2N — CID 151969988

IUPAC6-(2,6-difluorophenyl)-5-methyl-3,4-dihydropyridine
SMILESCC1=C(c2c(F)cccc2F)N=CCC1
InChIInChI=1S/C12H11F2N/c1-8-4-3-7-15-12(8)11-9(13)5-2-6-10(11)14/h2,5-7H,3-4H2,1H3
InChIKeyUALQGBZQBCGCEH-UHFFFAOYSA-N
MW207.22 g/mol
LogP3.56
Rot. Bonds1

About 6-(2,6-difluorophenyl)-5-methyl-3,4-dihydropyridine

6-(2,6-difluorophenyl)-5-methyl-3,4-dihydropyridine (PubChem CID 151969988) has the molecular formula C12H11F2N and a molecular weight of 207.22 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-5-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-5-methyl-3,4-dihydropyridine
PubChem CID151969988
Molecular FormulaC12H11F2N
Molecular Weight207.22 g/mol
Exact Mass207.09
IUPAC Name6-(2,6-difluorophenyl)-5-methyl-3,4-dihydropyridine
SMILESCC1=C(c2c(F)cccc2F)N=CCC1
InChIInChI=1S/C12H11F2N/c1-8-4-3-7-15-12(8)11-9(13)5-2-6-10(11)14/h2,5-7H,3-4H2,1H3
InChIKeyUALQGBZQBCGCEH-UHFFFAOYSA-N
XLogP3.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-5-methyl-3,4-dihydropyridine?
The IUPAC name of 6-(2,6-difluorophenyl)-5-methyl-3,4-dihydropyridine (CID 151969988) is 6-(2,6-difluorophenyl)-5-methyl-3,4-dihydropyridine.
What is the SMILES notation for 6-(2,6-difluorophenyl)-5-methyl-3,4-dihydropyridine?
The canonical SMILES for 6-(2,6-difluorophenyl)-5-methyl-3,4-dihydropyridine is CC1=C(c2c(F)cccc2F)N=CCC1.
What is the InChIKey of 6-(2,6-difluorophenyl)-5-methyl-3,4-dihydropyridine?
The InChIKey is UALQGBZQBCGCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N/c1-8-4-3-7-15-12(8)11-9(13)5-2-6-10(11)14/h2,5-7H,3-4H2,1H3.
What are the key properties of 6-(2,6-difluorophenyl)-5-methyl-3,4-dihydropyridine?
6-(2,6-difluorophenyl)-5-methyl-3,4-dihydropyridine has a molecular weight of 207.22 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-5-methyl-3,4-dihydropyridine is sourced from PubChem (CID 151969988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).