2-ethyl-3,4-difluoro-2,5-dihydro-1H-pyridin-6-one

C7H9F2NO — CID 57183765

IUPAC2-ethyl-3,4-difluoro-2,5-dihydro-1H-pyridin-6-one
SMILESCCC1NC(=O)CC(F)=C1F
InChIInChI=1S/C7H9F2NO/c1-2-5-7(9)4(8)3-6(11)10-5/h5H,2-3H2,1H3,(H,10,11)
InChIKeyQGDMKIWNVVZXKC-UHFFFAOYSA-N
MW161.15 g/mol
LogP1.44
Rot. Bonds1

About 2-ethyl-3,4-difluoro-2,5-dihydro-1H-pyridin-6-one

2-ethyl-3,4-difluoro-2,5-dihydro-1H-pyridin-6-one (PubChem CID 57183765) has the molecular formula C7H9F2NO and a molecular weight of 161.15 g/mol. Its IUPAC name is 2-ethyl-3,4-difluoro-2,5-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name2-ethyl-3,4-difluoro-2,5-dihydro-1H-pyridin-6-one
PubChem CID57183765
Molecular FormulaC7H9F2NO
Molecular Weight161.15 g/mol
Exact Mass161.07
IUPAC Name2-ethyl-3,4-difluoro-2,5-dihydro-1H-pyridin-6-one
SMILESCCC1NC(=O)CC(F)=C1F
InChIInChI=1S/C7H9F2NO/c1-2-5-7(9)4(8)3-6(11)10-5/h5H,2-3H2,1H3,(H,10,11)
InChIKeyQGDMKIWNVVZXKC-UHFFFAOYSA-N
XLogP1.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.15
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-3,4-difluoro-2,5-dihydro-1H-pyridin-6-one 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 2-ethyl-3,4-difluoro-2,5-dihydro-1H-pyridin-6-one?
The IUPAC name of 2-ethyl-3,4-difluoro-2,5-dihydro-1H-pyridin-6-one (CID 57183765) is 2-ethyl-3,4-difluoro-2,5-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 2-ethyl-3,4-difluoro-2,5-dihydro-1H-pyridin-6-one?
The canonical SMILES for 2-ethyl-3,4-difluoro-2,5-dihydro-1H-pyridin-6-one is CCC1NC(=O)CC(F)=C1F.
What is the InChIKey of 2-ethyl-3,4-difluoro-2,5-dihydro-1H-pyridin-6-one?
The InChIKey is QGDMKIWNVVZXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO/c1-2-5-7(9)4(8)3-6(11)10-5/h5H,2-3H2,1H3,(H,10,11).
What are the key properties of 2-ethyl-3,4-difluoro-2,5-dihydro-1H-pyridin-6-one?
2-ethyl-3,4-difluoro-2,5-dihydro-1H-pyridin-6-one has a molecular weight of 161.15 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4-difluoro-2,5-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 57183765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).