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

C14H14BrNO3 — CID 114761431

IUPAC3-bromo-1-[2-(2-methoxyphenoxy)ethyl]pyridin-2-one
SMILESCOc1ccccc1OCCn1cccc(Br)c1=O
InChIInChI=1S/C14H14BrNO3/c1-18-12-6-2-3-7-13(12)19-10-9-16-8-4-5-11(15)14(16)17/h2-8H,9-10H2,1H3
InChIKeyUSFRPPGOSIPRDR-UHFFFAOYSA-N
MW324.17 g/mol
LogP2.70
Rot. Bonds5

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

3-bromo-1-[2-(2-methoxyphenoxy)ethyl]pyridin-2-one (PubChem CID 114761431) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is 3-bromo-1-[2-(2-methoxyphenoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[2-(2-methoxyphenoxy)ethyl]pyridin-2-one
PubChem CID114761431
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name3-bromo-1-[2-(2-methoxyphenoxy)ethyl]pyridin-2-one
SMILESCOc1ccccc1OCCn1cccc(Br)c1=O
InChIInChI=1S/C14H14BrNO3/c1-18-12-6-2-3-7-13(12)19-10-9-16-8-4-5-11(15)14(16)17/h2-8H,9-10H2,1H3
InChIKeyUSFRPPGOSIPRDR-UHFFFAOYSA-N
XLogP2.70
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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3-bromo-1-[2-(4-methoxyphenyl)ethyl]pyridin-2-one
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1-[2-(2-methoxyphenoxy)ethyl]pyrrole
CID 60650106
3-bromo-1-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-one
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CID 116621973
3-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]-N,N-dimethylpropan-1-amine
CID 170867032
3-bromo-1-(2-phenylethyl)pyridin-2-one
CID 114761280
N-ethyl-1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine
CID 79108535
1-[2-(2-bromo-4-methylphenoxy)ethyl]pyridin-2-one
CID 82840444
3-bromo-1-dodecylpyridin-2-one
CID 114761270
1-[(5-acetyl-2-methoxyphenyl)methyl]-3-bromopyridin-2-one
CID 114760634

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[2-(2-methoxyphenoxy)ethyl]pyridin-2-one?
The IUPAC name of 3-bromo-1-[2-(2-methoxyphenoxy)ethyl]pyridin-2-one (CID 114761431) is 3-bromo-1-[2-(2-methoxyphenoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[2-(2-methoxyphenoxy)ethyl]pyridin-2-one?
The canonical SMILES for 3-bromo-1-[2-(2-methoxyphenoxy)ethyl]pyridin-2-one is COc1ccccc1OCCn1cccc(Br)c1=O.
What is the InChIKey of 3-bromo-1-[2-(2-methoxyphenoxy)ethyl]pyridin-2-one?
The InChIKey is USFRPPGOSIPRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c1-18-12-6-2-3-7-13(12)19-10-9-16-8-4-5-11(15)14(16)17/h2-8H,9-10H2,1H3.
What are the key properties of 3-bromo-1-[2-(2-methoxyphenoxy)ethyl]pyridin-2-one?
3-bromo-1-[2-(2-methoxyphenoxy)ethyl]pyridin-2-one has a molecular weight of 324.17 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[2-(2-methoxyphenoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 114761431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).