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

C7H10FN — CID 67991606

IUPAC(2S)-5-fluoro-2,6-dimethyl-2,3-dihydropyridine
SMILESCC1=N[C@@H](C)CC=C1F
InChIInChI=1S/C7H10FN/c1-5-3-4-7(8)6(2)9-5/h4-5H,3H2,1-2H3/t5-/m0/s1
InChIKeyORONGZROGRHACD-YFKPBYRVSA-N
MW127.16 g/mol
LogP2.09
Rot. Bonds

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

(2S)-5-fluoro-2,6-dimethyl-2,3-dihydropyridine (PubChem CID 67991606) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (2S)-5-fluoro-2,6-dimethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name(2S)-5-fluoro-2,6-dimethyl-2,3-dihydropyridine
PubChem CID67991606
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(2S)-5-fluoro-2,6-dimethyl-2,3-dihydropyridine
SMILESCC1=N[C@@H](C)CC=C1F
InChIInChI=1S/C7H10FN/c1-5-3-4-7(8)6(2)9-5/h4-5H,3H2,1-2H3/t5-/m0/s1
InChIKeyORONGZROGRHACD-YFKPBYRVSA-N
XLogP2.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S)-5-fluoro-2,6-dimethyl-2,3-dihydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-5-fluoro-2,6-dimethyl-2,3-dihydropyridine?
The IUPAC name of (2S)-5-fluoro-2,6-dimethyl-2,3-dihydropyridine (CID 67991606) is (2S)-5-fluoro-2,6-dimethyl-2,3-dihydropyridine.
What is the SMILES notation for (2S)-5-fluoro-2,6-dimethyl-2,3-dihydropyridine?
The canonical SMILES for (2S)-5-fluoro-2,6-dimethyl-2,3-dihydropyridine is CC1=N[C@@H](C)CC=C1F.
What is the InChIKey of (2S)-5-fluoro-2,6-dimethyl-2,3-dihydropyridine?
The InChIKey is ORONGZROGRHACD-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10FN/c1-5-3-4-7(8)6(2)9-5/h4-5H,3H2,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-5-fluoro-2,6-dimethyl-2,3-dihydropyridine?
(2S)-5-fluoro-2,6-dimethyl-2,3-dihydropyridine has a molecular weight of 127.16 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-fluoro-2,6-dimethyl-2,3-dihydropyridine is sourced from PubChem (CID 67991606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).