(3S)-4-ethyl-3-fluoro-2,3-dihydropyridine

C7H10FN — CID 134404676

IUPAC(3S)-4-ethyl-3-fluoro-2,3-dihydropyridine
SMILESCCC1=CC=NC[C@H]1F
InChIInChI=1S/C7H10FN/c1-2-6-3-4-9-5-7(6)8/h3-4,7H,2,5H2,1H3/t7-/m1/s1
InChIKeyNYMGDRWHLLVLDG-SSDOTTSWSA-N
MW127.16 g/mol
LogP1.75
Rot. Bonds1

About (3S)-4-ethyl-3-fluoro-2,3-dihydropyridine

(3S)-4-ethyl-3-fluoro-2,3-dihydropyridine (PubChem CID 134404676) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (3S)-4-ethyl-3-fluoro-2,3-dihydropyridine.

Molecular Properties

Compound Name(3S)-4-ethyl-3-fluoro-2,3-dihydropyridine
PubChem CID134404676
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(3S)-4-ethyl-3-fluoro-2,3-dihydropyridine
SMILESCCC1=CC=NC[C@H]1F
InChIInChI=1S/C7H10FN/c1-2-6-3-4-9-5-7(6)8/h3-4,7H,2,5H2,1H3/t7-/m1/s1
InChIKeyNYMGDRWHLLVLDG-SSDOTTSWSA-N
XLogP1.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-ethyl-3-fluoro-2,3-dihydropyridine?
The IUPAC name of (3S)-4-ethyl-3-fluoro-2,3-dihydropyridine (CID 134404676) is (3S)-4-ethyl-3-fluoro-2,3-dihydropyridine.
What is the SMILES notation for (3S)-4-ethyl-3-fluoro-2,3-dihydropyridine?
The canonical SMILES for (3S)-4-ethyl-3-fluoro-2,3-dihydropyridine is CCC1=CC=NC[C@H]1F.
What is the InChIKey of (3S)-4-ethyl-3-fluoro-2,3-dihydropyridine?
The InChIKey is NYMGDRWHLLVLDG-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H10FN/c1-2-6-3-4-9-5-7(6)8/h3-4,7H,2,5H2,1H3/t7-/m1/s1.
What are the key properties of (3S)-4-ethyl-3-fluoro-2,3-dihydropyridine?
(3S)-4-ethyl-3-fluoro-2,3-dihydropyridine has a molecular weight of 127.16 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-ethyl-3-fluoro-2,3-dihydropyridine is sourced from PubChem (CID 134404676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).