5-bromo-1-[2-(2-methylphenoxy)ethyl]pyridin-2-one

C14H14BrNO2 — CID 52891668

IUPAC5-bromo-1-[2-(2-methylphenoxy)ethyl]pyridin-2-one
SMILESCc1ccccc1OCCn1cc(Br)ccc1=O
InChIInChI=1S/C14H14BrNO2/c1-11-4-2-3-5-13(11)18-9-8-16-10-12(15)6-7-14(16)17/h2-7,10H,8-9H2,1H3
InChIKeyLWWWZFKWOZXJRZ-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.00
Rot. Bonds4

About 5-bromo-1-[2-(2-methylphenoxy)ethyl]pyridin-2-one

5-bromo-1-[2-(2-methylphenoxy)ethyl]pyridin-2-one (PubChem CID 52891668) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-bromo-1-[2-(2-methylphenoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-(2-methylphenoxy)ethyl]pyridin-2-one
PubChem CID52891668
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name5-bromo-1-[2-(2-methylphenoxy)ethyl]pyridin-2-one
SMILESCc1ccccc1OCCn1cc(Br)ccc1=O
InChIInChI=1S/C14H14BrNO2/c1-11-4-2-3-5-13(11)18-9-8-16-10-12(15)6-7-14(16)17/h2-7,10H,8-9H2,1H3
InChIKeyLWWWZFKWOZXJRZ-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(2-methylphenoxy)ethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-(2-methylphenoxy)ethyl]pyridin-2-one (CID 52891668) is 5-bromo-1-[2-(2-methylphenoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-(2-methylphenoxy)ethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-(2-methylphenoxy)ethyl]pyridin-2-one is Cc1ccccc1OCCn1cc(Br)ccc1=O.
What is the InChIKey of 5-bromo-1-[2-(2-methylphenoxy)ethyl]pyridin-2-one?
The InChIKey is LWWWZFKWOZXJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-11-4-2-3-5-13(11)18-9-8-16-10-12(15)6-7-14(16)17/h2-7,10H,8-9H2,1H3.
What are the key properties of 5-bromo-1-[2-(2-methylphenoxy)ethyl]pyridin-2-one?
5-bromo-1-[2-(2-methylphenoxy)ethyl]pyridin-2-one has a molecular weight of 308.18 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(2-methylphenoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 52891668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).