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

C14H14BrNO2 — CID 114760943

IUPAC3-bromo-1-[2-(4-methoxyphenyl)ethyl]pyridin-2-one
SMILESCOc1ccc(CCn2cccc(Br)c2=O)cc1
InChIInChI=1S/C14H14BrNO2/c1-18-12-6-4-11(5-7-12)8-10-16-9-2-3-13(15)14(16)17/h2-7,9H,8,10H2,1H3
InChIKeySWVDLHJYDZQEPE-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.86
Rot. Bonds4

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

3-bromo-1-[2-(4-methoxyphenyl)ethyl]pyridin-2-one (PubChem CID 114760943) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 3-bromo-1-[2-(4-methoxyphenyl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[2-(4-methoxyphenyl)ethyl]pyridin-2-one
PubChem CID114760943
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name3-bromo-1-[2-(4-methoxyphenyl)ethyl]pyridin-2-one
SMILESCOc1ccc(CCn2cccc(Br)c2=O)cc1
InChIInChI=1S/C14H14BrNO2/c1-18-12-6-4-11(5-7-12)8-10-16-9-2-3-13(15)14(16)17/h2-7,9H,8,10H2,1H3
InChIKeySWVDLHJYDZQEPE-UHFFFAOYSA-N
XLogP2.86
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-1-(2-phenylethyl)pyridin-2-one
CID 114761280
1-[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carbothioamide
CID 107017852
3-bromo-1-[(3-methoxyphenyl)methyl]pyridin-2-one
CID 114761033
3-bromo-1-[2-(2-methoxyphenoxy)ethyl]pyridin-2-one
CID 114761431
5-[2-(4-methoxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione
CID 70681763
3-chloro-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 141379797
5-bromo-3-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-one
CID 66310934
3-bromo-1-dodecylpyridin-2-one
CID 114761270
1-[3-(4-aminophenoxy)propyl]-3-bromopyridin-2-one
CID 82147683
5-ethyl-1-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 65444998
1-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]pyridin-2-one
CID 82897744
3-(3-bromo-2-oxo-1-pyridinyl)propanoic acid
CID 82146616

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[2-(4-methoxyphenyl)ethyl]pyridin-2-one?
The IUPAC name of 3-bromo-1-[2-(4-methoxyphenyl)ethyl]pyridin-2-one (CID 114760943) is 3-bromo-1-[2-(4-methoxyphenyl)ethyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[2-(4-methoxyphenyl)ethyl]pyridin-2-one?
The canonical SMILES for 3-bromo-1-[2-(4-methoxyphenyl)ethyl]pyridin-2-one is COc1ccc(CCn2cccc(Br)c2=O)cc1.
What is the InChIKey of 3-bromo-1-[2-(4-methoxyphenyl)ethyl]pyridin-2-one?
The InChIKey is SWVDLHJYDZQEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-18-12-6-4-11(5-7-12)8-10-16-9-2-3-13(15)14(16)17/h2-7,9H,8,10H2,1H3.
What are the key properties of 3-bromo-1-[2-(4-methoxyphenyl)ethyl]pyridin-2-one?
3-bromo-1-[2-(4-methoxyphenyl)ethyl]pyridin-2-one has a molecular weight of 308.18 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[2-(4-methoxyphenyl)ethyl]pyridin-2-one is sourced from PubChem (CID 114760943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).