3-ethyl-1-(5-fluoro-3-pyridinyl)pentan-1-one

C12H16FNO — CID 105125350

IUPAC3-ethyl-1-(5-fluoro-3-pyridinyl)pentan-1-one
SMILESCCC(CC)CC(=O)c1cncc(F)c1
InChIInChI=1S/C12H16FNO/c1-3-9(4-2)5-12(15)10-6-11(13)8-14-7-10/h6-9H,3-5H2,1-2H3
InChIKeyRZROVYQYZHFCSB-UHFFFAOYSA-N
MW209.26 g/mol
LogP3.23
Rot. Bonds5

About 3-ethyl-1-(5-fluoro-3-pyridinyl)pentan-1-one

3-ethyl-1-(5-fluoro-3-pyridinyl)pentan-1-one (PubChem CID 105125350) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 3-ethyl-1-(5-fluoro-3-pyridinyl)pentan-1-one.

Molecular Properties

Compound Name3-ethyl-1-(5-fluoro-3-pyridinyl)pentan-1-one
PubChem CID105125350
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name3-ethyl-1-(5-fluoro-3-pyridinyl)pentan-1-one
SMILESCCC(CC)CC(=O)c1cncc(F)c1
InChIInChI=1S/C12H16FNO/c1-3-9(4-2)5-12(15)10-6-11(13)8-14-7-10/h6-9H,3-5H2,1-2H3
InChIKeyRZROVYQYZHFCSB-UHFFFAOYSA-N
XLogP3.23
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1-(5-fluoro-3-pyridinyl)pentan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

2-ethyl-1-(5-fluoro-3-pyridinyl)butan-1-one
CID 114963530
2-butan-2-ylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanone
CID 65136460
1-(3-bromo-5-fluorophenyl)-3-ethylpentan-1-one
CID 82920792
2-chloro-1-(5-fluoro-3-pyridinyl)ethanone
CID 104786801
1-(5-fluoro-3-pyridinyl)undecan-1-one
CID 105091475
1-(5-fluoro-3-pyridinyl)-3-methylbut-3-en-1-one
CID 105112516
N-butan-2-yl-5-fluoropyridine-3-carboxamide
CID 115694418
1-(5-fluoro-3-pyridinyl)-3-phenylpropane-1,3-dione
CID 114080622
3-(aminomethyl)-1-(5-ethoxy-3-pyridinyl)pentan-1-one
CID 116596399
4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-one
CID 66046590
(1R)-2-chloro-1-(5-fluoro-3-pyridinyl)ethanol;2-chloro-1-(5-fluoro-3-pyridinyl)ethanone
CID 160825157
2-[butan-2-yl-(5-fluoropyridine-3-carbonyl)amino]acetic acid
CID 115755678

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(5-fluoro-3-pyridinyl)pentan-1-one?
The IUPAC name of 3-ethyl-1-(5-fluoro-3-pyridinyl)pentan-1-one (CID 105125350) is 3-ethyl-1-(5-fluoro-3-pyridinyl)pentan-1-one.
What is the SMILES notation for 3-ethyl-1-(5-fluoro-3-pyridinyl)pentan-1-one?
The canonical SMILES for 3-ethyl-1-(5-fluoro-3-pyridinyl)pentan-1-one is CCC(CC)CC(=O)c1cncc(F)c1.
What is the InChIKey of 3-ethyl-1-(5-fluoro-3-pyridinyl)pentan-1-one?
The InChIKey is RZROVYQYZHFCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-3-9(4-2)5-12(15)10-6-11(13)8-14-7-10/h6-9H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-1-(5-fluoro-3-pyridinyl)pentan-1-one?
3-ethyl-1-(5-fluoro-3-pyridinyl)pentan-1-one has a molecular weight of 209.26 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(5-fluoro-3-pyridinyl)pentan-1-one is sourced from PubChem (CID 105125350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).