(2S)-3-ethyl-6-fluoro-2,5-dimethyl-2,3-dihydropyridine

C9H14FN — CID 89091133

IUPAC(2S)-3-ethyl-6-fluoro-2,5-dimethyl-2,3-dihydropyridine
SMILESCCC1C=C(C)C(F)=N[C@H]1C
InChIInChI=1S/C9H14FN/c1-4-8-5-6(2)9(10)11-7(8)3/h5,7-8H,4H2,1-3H3/t7-,8?/m0/s1
InChIKeyMLXWPSGPJLWYEC-JAMMHHFISA-N
MW155.22 g/mol
LogP2.73
Rot. Bonds1

About (2S)-3-ethyl-6-fluoro-2,5-dimethyl-2,3-dihydropyridine

(2S)-3-ethyl-6-fluoro-2,5-dimethyl-2,3-dihydropyridine (PubChem CID 89091133) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is (2S)-3-ethyl-6-fluoro-2,5-dimethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name(2S)-3-ethyl-6-fluoro-2,5-dimethyl-2,3-dihydropyridine
PubChem CID89091133
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name(2S)-3-ethyl-6-fluoro-2,5-dimethyl-2,3-dihydropyridine
SMILESCCC1C=C(C)C(F)=N[C@H]1C
InChIInChI=1S/C9H14FN/c1-4-8-5-6(2)9(10)11-7(8)3/h5,7-8H,4H2,1-3H3/t7-,8?/m0/s1
InChIKeyMLXWPSGPJLWYEC-JAMMHHFISA-N
XLogP2.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-ethyl-6-fluoro-2,5-dimethyl-2,3-dihydropyridine?
The IUPAC name of (2S)-3-ethyl-6-fluoro-2,5-dimethyl-2,3-dihydropyridine (CID 89091133) is (2S)-3-ethyl-6-fluoro-2,5-dimethyl-2,3-dihydropyridine.
What is the SMILES notation for (2S)-3-ethyl-6-fluoro-2,5-dimethyl-2,3-dihydropyridine?
The canonical SMILES for (2S)-3-ethyl-6-fluoro-2,5-dimethyl-2,3-dihydropyridine is CCC1C=C(C)C(F)=N[C@H]1C.
What is the InChIKey of (2S)-3-ethyl-6-fluoro-2,5-dimethyl-2,3-dihydropyridine?
The InChIKey is MLXWPSGPJLWYEC-JAMMHHFISA-N. The full InChI is InChI=1S/C9H14FN/c1-4-8-5-6(2)9(10)11-7(8)3/h5,7-8H,4H2,1-3H3/t7-,8?/m0/s1.
What are the key properties of (2S)-3-ethyl-6-fluoro-2,5-dimethyl-2,3-dihydropyridine?
(2S)-3-ethyl-6-fluoro-2,5-dimethyl-2,3-dihydropyridine has a molecular weight of 155.22 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-ethyl-6-fluoro-2,5-dimethyl-2,3-dihydropyridine is sourced from PubChem (CID 89091133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).