6-ethyl-2-fluoro-3,4-dihydropyridine

C7H10FN — CID 176665644

IUPAC6-ethyl-2-fluoro-3,4-dihydropyridine
SMILESCCC1=CCCC(F)=N1
InChIInChI=1S/C7H10FN/c1-2-6-4-3-5-7(8)9-6/h4H,2-3,5H2,1H3
InChIKeyGJUBJSWUEYCLPJ-UHFFFAOYSA-N
MW127.16 g/mol
LogP2.44
Rot. Bonds1

About 6-ethyl-2-fluoro-3,4-dihydropyridine

6-ethyl-2-fluoro-3,4-dihydropyridine (PubChem CID 176665644) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 6-ethyl-2-fluoro-3,4-dihydropyridine.

Molecular Properties

Compound Name6-ethyl-2-fluoro-3,4-dihydropyridine
PubChem CID176665644
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name6-ethyl-2-fluoro-3,4-dihydropyridine
SMILESCCC1=CCCC(F)=N1
InChIInChI=1S/C7H10FN/c1-2-6-4-3-5-7(8)9-6/h4H,2-3,5H2,1H3
InChIKeyGJUBJSWUEYCLPJ-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-ethyl-2-fluoro-3,4-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 6-ethyl-2-fluoro-3,4-dihydropyridine?
The IUPAC name of 6-ethyl-2-fluoro-3,4-dihydropyridine (CID 176665644) is 6-ethyl-2-fluoro-3,4-dihydropyridine.
What is the SMILES notation for 6-ethyl-2-fluoro-3,4-dihydropyridine?
The canonical SMILES for 6-ethyl-2-fluoro-3,4-dihydropyridine is CCC1=CCCC(F)=N1.
What is the InChIKey of 6-ethyl-2-fluoro-3,4-dihydropyridine?
The InChIKey is GJUBJSWUEYCLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-2-6-4-3-5-7(8)9-6/h4H,2-3,5H2,1H3.
What are the key properties of 6-ethyl-2-fluoro-3,4-dihydropyridine?
6-ethyl-2-fluoro-3,4-dihydropyridine has a molecular weight of 127.16 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-fluoro-3,4-dihydropyridine is sourced from PubChem (CID 176665644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).