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

C15H15BrFNO2 — CID 58110744

IUPAC3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(1-hydroxyethyl)pyridin-2-one
SMILESCC(O)c1cc(Br)c(=O)n([C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C15H15BrFNO2/c1-9(11-3-5-13(17)6-4-11)18-8-12(10(2)19)7-14(16)15(18)20/h3-10,19H,1-2H3/t9-,10?/m0/s1
InChIKeyDHSABVFWSLCXSM-RGURZIINSA-N
MW340.19 g/mol
LogP3.41
Rot. Bonds3

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

3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(1-hydroxyethyl)pyridin-2-one (PubChem CID 58110744) has the molecular formula C15H15BrFNO2 and a molecular weight of 340.19 g/mol. Its IUPAC name is 3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(1-hydroxyethyl)pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(1-hydroxyethyl)pyridin-2-one
PubChem CID58110744
Molecular FormulaC15H15BrFNO2
Molecular Weight340.19 g/mol
Exact Mass339.03
IUPAC Name3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(1-hydroxyethyl)pyridin-2-one
SMILESCC(O)c1cc(Br)c(=O)n([C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C15H15BrFNO2/c1-9(11-3-5-13(17)6-4-11)18-8-12(10(2)19)7-14(16)15(18)20/h3-10,19H,1-2H3/t9-,10?/m0/s1
InChIKeyDHSABVFWSLCXSM-RGURZIINSA-N
XLogP3.41
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(1S)-1-(4-fluorophenyl)ethyl]-5-(hydroxymethyl)pyridin-2-one
CID 58110600
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
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
5-Bromo-1-[1-(3,4,5-trifluorophenyl)propyl]pyridin-2-one
CID 58217769
3-Bromo-5-cyclopropyl-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one
CID 58217772

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(1-hydroxyethyl)pyridin-2-one?
The IUPAC name of 3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(1-hydroxyethyl)pyridin-2-one (CID 58110744) is 3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(1-hydroxyethyl)pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(1-hydroxyethyl)pyridin-2-one?
The canonical SMILES for 3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(1-hydroxyethyl)pyridin-2-one is CC(O)c1cc(Br)c(=O)n([C@@H](C)c2ccc(F)cc2)c1.
What is the InChIKey of 3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(1-hydroxyethyl)pyridin-2-one?
The InChIKey is DHSABVFWSLCXSM-RGURZIINSA-N. The full InChI is InChI=1S/C15H15BrFNO2/c1-9(11-3-5-13(17)6-4-11)18-8-12(10(2)19)7-14(16)15(18)20/h3-10,19H,1-2H3/t9-,10?/m0/s1.
What are the key properties of 3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(1-hydroxyethyl)pyridin-2-one?
3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(1-hydroxyethyl)pyridin-2-one has a molecular weight of 340.19 g/mol, XLogP of 3.41, 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-(1-hydroxyethyl)pyridin-2-one is sourced from PubChem (CID 58110744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).