3-bromo-1-[2-(3-fluorophenyl)-2-oxoethyl]pyridin-2-one

C13H9BrFNO2 — CID 114760623

IUPAC3-bromo-1-[2-(3-fluorophenyl)-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cccc(Br)c1=O)c1cccc(F)c1
InChIInChI=1S/C13H9BrFNO2/c14-11-5-2-6-16(13(11)18)8-12(17)9-3-1-4-10(15)7-9/h1-7H,8H2
InChIKeyHTUFMHSUZMGTIK-UHFFFAOYSA-N
MW310.12 g/mol
LogP2.63
Rot. Bonds3

About 3-bromo-1-[2-(3-fluorophenyl)-2-oxoethyl]pyridin-2-one

3-bromo-1-[2-(3-fluorophenyl)-2-oxoethyl]pyridin-2-one (PubChem CID 114760623) has the molecular formula C13H9BrFNO2 and a molecular weight of 310.12 g/mol. Its IUPAC name is 3-bromo-1-[2-(3-fluorophenyl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[2-(3-fluorophenyl)-2-oxoethyl]pyridin-2-one
PubChem CID114760623
Molecular FormulaC13H9BrFNO2
Molecular Weight310.12 g/mol
Exact Mass308.98
IUPAC Name3-bromo-1-[2-(3-fluorophenyl)-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cccc(Br)c1=O)c1cccc(F)c1
InChIInChI=1S/C13H9BrFNO2/c14-11-5-2-6-16(13(11)18)8-12(17)9-3-1-4-10(15)7-9/h1-7H,8H2
InChIKeyHTUFMHSUZMGTIK-UHFFFAOYSA-N
XLogP2.63
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.12
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-1-[2-(3-fluorophenyl)-2-oxoethyl]pyridin-2-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

3-bromo-1-[2-(4-methylsulfanylphenyl)-2-oxoethyl]pyridin-2-one
CID 114760678
5-[2-(3-fluorophenyl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one
CID 115912066
2-(5-fluoroindol-1-yl)-1-(3-fluorophenyl)ethanone
CID 63851474
3-bromo-1-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridin-2-one
CID 114760562
1-(3-fluorophenyl)-2-(2-methylimidazol-1-yl)ethanone
CID 43797893
2-[2-(3-fluorobenzoyl)pyrrol-1-yl]acetic acid
CID 53212675
4-[2-(3-fluorophenyl)-2-oxoethyl]piperazine-2,6-dione
CID 66083375
4-[2-(3-fluorophenyl)-2-oxoethyl]piperazin-2-one
CID 60680435
1-(3-fluorophenyl)-2-methylselanylethanone
CID 146165454
2-(4-bromoindol-1-yl)-1-(3,4-difluorophenyl)ethanone
CID 115351663
3-[2-(3-fluorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
CID 62024519
3-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one
CID 114760810

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[2-(3-fluorophenyl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 3-bromo-1-[2-(3-fluorophenyl)-2-oxoethyl]pyridin-2-one (CID 114760623) is 3-bromo-1-[2-(3-fluorophenyl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[2-(3-fluorophenyl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 3-bromo-1-[2-(3-fluorophenyl)-2-oxoethyl]pyridin-2-one is O=C(Cn1cccc(Br)c1=O)c1cccc(F)c1.
What is the InChIKey of 3-bromo-1-[2-(3-fluorophenyl)-2-oxoethyl]pyridin-2-one?
The InChIKey is HTUFMHSUZMGTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO2/c14-11-5-2-6-16(13(11)18)8-12(17)9-3-1-4-10(15)7-9/h1-7H,8H2.
What are the key properties of 3-bromo-1-[2-(3-fluorophenyl)-2-oxoethyl]pyridin-2-one?
3-bromo-1-[2-(3-fluorophenyl)-2-oxoethyl]pyridin-2-one has a molecular weight of 310.12 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[2-(3-fluorophenyl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 114760623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).