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

C12H10F3N — CID 138493607

IUPAC6-(2,4-difluorophenyl)-5-fluoro-3-methyl-3,4-dihydropyridine
SMILESCC1C=NC(c2ccc(F)cc2F)=C(F)C1
InChIInChI=1S/C12H10F3N/c1-7-4-11(15)12(16-6-7)9-3-2-8(13)5-10(9)14/h2-3,5-7H,4H2,1H3
InChIKeyNSXOTTCHOUIFNL-UHFFFAOYSA-N
MW225.21 g/mol
LogP3.71
Rot. Bonds1

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

6-(2,4-difluorophenyl)-5-fluoro-3-methyl-3,4-dihydropyridine (PubChem CID 138493607) has the molecular formula C12H10F3N and a molecular weight of 225.21 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-5-fluoro-3-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-5-fluoro-3-methyl-3,4-dihydropyridine
PubChem CID138493607
Molecular FormulaC12H10F3N
Molecular Weight225.21 g/mol
Exact Mass225.08
IUPAC Name6-(2,4-difluorophenyl)-5-fluoro-3-methyl-3,4-dihydropyridine
SMILESCC1C=NC(c2ccc(F)cc2F)=C(F)C1
InChIInChI=1S/C12H10F3N/c1-7-4-11(15)12(16-6-7)9-3-2-8(13)5-10(9)14/h2-3,5-7H,4H2,1H3
InChIKeyNSXOTTCHOUIFNL-UHFFFAOYSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-5-fluoro-3-methyl-3,4-dihydropyridine?
The IUPAC name of 6-(2,4-difluorophenyl)-5-fluoro-3-methyl-3,4-dihydropyridine (CID 138493607) is 6-(2,4-difluorophenyl)-5-fluoro-3-methyl-3,4-dihydropyridine.
What is the SMILES notation for 6-(2,4-difluorophenyl)-5-fluoro-3-methyl-3,4-dihydropyridine?
The canonical SMILES for 6-(2,4-difluorophenyl)-5-fluoro-3-methyl-3,4-dihydropyridine is CC1C=NC(c2ccc(F)cc2F)=C(F)C1.
What is the InChIKey of 6-(2,4-difluorophenyl)-5-fluoro-3-methyl-3,4-dihydropyridine?
The InChIKey is NSXOTTCHOUIFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N/c1-7-4-11(15)12(16-6-7)9-3-2-8(13)5-10(9)14/h2-3,5-7H,4H2,1H3.
What are the key properties of 6-(2,4-difluorophenyl)-5-fluoro-3-methyl-3,4-dihydropyridine?
6-(2,4-difluorophenyl)-5-fluoro-3-methyl-3,4-dihydropyridine has a molecular weight of 225.21 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-5-fluoro-3-methyl-3,4-dihydropyridine is sourced from PubChem (CID 138493607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).