(3S)-5-fluoro-3-methyl-3,4-dihydropyridine

C6H8FN — CID 89024044

IUPAC(3S)-5-fluoro-3-methyl-3,4-dihydropyridine
SMILESC[C@@H]1C=NC=C(F)C1
InChIInChI=1S/C6H8FN/c1-5-2-6(7)4-8-3-5/h3-5H,2H2,1H3/t5-/m0/s1
InChIKeyZGISJCYQRZURRH-YFKPBYRVSA-N
MW113.13 g/mol
LogP1.91
Rot. Bonds

About (3S)-5-fluoro-3-methyl-3,4-dihydropyridine

(3S)-5-fluoro-3-methyl-3,4-dihydropyridine (PubChem CID 89024044) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is (3S)-5-fluoro-3-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name(3S)-5-fluoro-3-methyl-3,4-dihydropyridine
PubChem CID89024044
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name(3S)-5-fluoro-3-methyl-3,4-dihydropyridine
SMILESC[C@@H]1C=NC=C(F)C1
InChIInChI=1S/C6H8FN/c1-5-2-6(7)4-8-3-5/h3-5H,2H2,1H3/t5-/m0/s1
InChIKeyZGISJCYQRZURRH-YFKPBYRVSA-N
XLogP1.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-fluoro-3-methyl-3,4-dihydropyridine?
The IUPAC name of (3S)-5-fluoro-3-methyl-3,4-dihydropyridine (CID 89024044) is (3S)-5-fluoro-3-methyl-3,4-dihydropyridine.
What is the SMILES notation for (3S)-5-fluoro-3-methyl-3,4-dihydropyridine?
The canonical SMILES for (3S)-5-fluoro-3-methyl-3,4-dihydropyridine is C[C@@H]1C=NC=C(F)C1.
What is the InChIKey of (3S)-5-fluoro-3-methyl-3,4-dihydropyridine?
The InChIKey is ZGISJCYQRZURRH-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H8FN/c1-5-2-6(7)4-8-3-5/h3-5H,2H2,1H3/t5-/m0/s1.
What are the key properties of (3S)-5-fluoro-3-methyl-3,4-dihydropyridine?
(3S)-5-fluoro-3-methyl-3,4-dihydropyridine has a molecular weight of 113.13 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-fluoro-3-methyl-3,4-dihydropyridine is sourced from PubChem (CID 89024044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).