3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(hydroxymethyl)pyridin-2-one

C14H13BrFNO2 — CID 58110600

IUPAC3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(hydroxymethyl)pyridin-2-one
SMILESC[C@@H](c1ccc(F)cc1)n1cc(CO)cc(Br)c1=O
InChIInChI=1S/C14H13BrFNO2/c1-9(11-2-4-12(16)5-3-11)17-7-10(8-18)6-13(15)14(17)19/h2-7,9,18H,8H2,1H3/t9-/m0/s1
InChIKeyQYNQMILROUIBPK-VIFPVBQESA-N
MW326.17 g/mol
LogP2.85
Rot. Bonds3

About 3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(hydroxymethyl)pyridin-2-one

3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(hydroxymethyl)pyridin-2-one (PubChem CID 58110600) has the molecular formula C14H13BrFNO2 and a molecular weight of 326.17 g/mol. Its IUPAC name is 3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(hydroxymethyl)pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(hydroxymethyl)pyridin-2-one
PubChem CID58110600
Molecular FormulaC14H13BrFNO2
Molecular Weight326.17 g/mol
Exact Mass325.01
IUPAC Name3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(hydroxymethyl)pyridin-2-one
SMILESC[C@@H](c1ccc(F)cc1)n1cc(CO)cc(Br)c1=O
InChIInChI=1S/C14H13BrFNO2/c1-9(11-2-4-12(16)5-3-11)17-7-10(8-18)6-13(15)14(17)19/h2-7,9,18H,8H2,1H3/t9-/m0/s1
InChIKeyQYNQMILROUIBPK-VIFPVBQESA-N
XLogP2.85
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(hydroxymethyl)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

5-Bromo-1-(4-fluorobenzyl)pyridin-2(1H)-one
CID 52891654
3-bromo-1-(3-fluorobenzyl)-4-hydroxy-1H-pyridin-2-one
CID 54724177
3-bromo-1-(3-fluorobenzyl)-4-hydroxy-6-methylpyridin-2(1H)-one
CID 54724200
3-Bromo-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one
CID 58110632
3-bromo-5-(1,1-difluoroethyl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one
CID 58110681
5-acetyl-3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one
CID 58110691
methyl 5-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-6-oxopyridine-3-carboxylate
CID 58110697
3-Bromo-5-chloro-1-[1-(3,4,5-trifluorophenyl)ethyl]pyridin-2-one
CID 58110739
3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(1-hydroxyethyl)pyridin-2-one
CID 58110744
5-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-6-oxopyridine-3-carbaldehyde
CID 58110767
5-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-6-oxopyridine-3-carboxylic acid
CID 58110786
3-bromo-5-(difluoromethyl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one
CID 58217743

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(hydroxymethyl)pyridin-2-one?
The IUPAC name of 3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(hydroxymethyl)pyridin-2-one (CID 58110600) is 3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(hydroxymethyl)pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(hydroxymethyl)pyridin-2-one?
The canonical SMILES for 3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(hydroxymethyl)pyridin-2-one is C[C@@H](c1ccc(F)cc1)n1cc(CO)cc(Br)c1=O.
What is the InChIKey of 3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(hydroxymethyl)pyridin-2-one?
The InChIKey is QYNQMILROUIBPK-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13BrFNO2/c1-9(11-2-4-12(16)5-3-11)17-7-10(8-18)6-13(15)14(17)19/h2-7,9,18H,8H2,1H3/t9-/m0/s1.
What are the key properties of 3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(hydroxymethyl)pyridin-2-one?
3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(hydroxymethyl)pyridin-2-one has a molecular weight of 326.17 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(hydroxymethyl)pyridin-2-one is sourced from PubChem (CID 58110600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).