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

C13H11BrFNO — CID 58110632

IUPAC3-bromo-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one
SMILESCC(c1ccc(F)cc1)n1cccc(Br)c1=O
InChIInChI=1S/C13H11BrFNO/c1-9(10-4-6-11(15)7-5-10)16-8-2-3-12(14)13(16)17/h2-9H,1H3
InChIKeyAUIQMSPALQVZQR-UHFFFAOYSA-N
MW296.14 g/mol
LogP3.36
Rot. Bonds2

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

3-bromo-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one (PubChem CID 58110632) has the molecular formula C13H11BrFNO and a molecular weight of 296.14 g/mol. Its IUPAC name is 3-bromo-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one
PubChem CID58110632
Molecular FormulaC13H11BrFNO
Molecular Weight296.14 g/mol
Exact Mass295.00
IUPAC Name3-bromo-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one
SMILESCC(c1ccc(F)cc1)n1cccc(Br)c1=O
InChIInChI=1S/C13H11BrFNO/c1-9(10-4-6-11(15)7-5-10)16-8-2-3-12(14)13(16)17/h2-9H,1H3
InChIKeyAUIQMSPALQVZQR-UHFFFAOYSA-N
XLogP3.36
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 244078
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Nsc167484
CID 296919
1-Benzyl-4-hexylpyridin-2-one
CID 121493777
5-chloro-1-(2-fluorobenzyl)-2(1H)-pyridinone
CID 901046
(R)-(+)-N-(1-Phenylethyl)maleimide
CID 671213
(S)-(-)-N-(1-Phenylethyl)maleimide
CID 6540921
1-Methyl-6-phenylpyridin-2-one
CID 739288
1-[[4-(Trifluoromethyl)phenyl]methyl]pyridin-2-one
CID 44568432
(5Z)-1-benzyl-4-bromo-5-(bromomethylidene)pyrrol-2-one
CID 16127479
2(1H)-Pyridinone,1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)-
CID 45793147
1-(2-fluorobenzyl)-5-(trifluoromethyl)pyridin-2(1H)-one
CID 45838451

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one?
The IUPAC name of 3-bromo-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one (CID 58110632) is 3-bromo-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one?
The canonical SMILES for 3-bromo-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one is CC(c1ccc(F)cc1)n1cccc(Br)c1=O.
What is the InChIKey of 3-bromo-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one?
The InChIKey is AUIQMSPALQVZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO/c1-9(10-4-6-11(15)7-5-10)16-8-2-3-12(14)13(16)17/h2-9H,1H3.
What are the key properties of 3-bromo-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one?
3-bromo-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one has a molecular weight of 296.14 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one is sourced from PubChem (CID 58110632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).