4-bromo-1-(2-methoxyethyl)pyridin-2-one

C8H10BrNO2 — CID 124925829

IUPAC4-bromo-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1ccc(Br)cc1=O
InChIInChI=1S/C8H10BrNO2/c1-12-5-4-10-3-2-7(9)6-8(10)11/h2-3,6H,4-5H2,1H3
InChIKeyDIGIWFMOFFHOCA-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.26
Rot. Bonds3

About 4-bromo-1-(2-methoxyethyl)pyridin-2-one

4-bromo-1-(2-methoxyethyl)pyridin-2-one (PubChem CID 124925829) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is 4-bromo-1-(2-methoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name4-bromo-1-(2-methoxyethyl)pyridin-2-one
PubChem CID124925829
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC Name4-bromo-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1ccc(Br)cc1=O
InChIInChI=1S/C8H10BrNO2/c1-12-5-4-10-3-2-7(9)6-8(10)11/h2-3,6H,4-5H2,1H3
InChIKeyDIGIWFMOFFHOCA-UHFFFAOYSA-N
XLogP1.26
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-methoxyethyl)pyridin-2-one?
The IUPAC name of 4-bromo-1-(2-methoxyethyl)pyridin-2-one (CID 124925829) is 4-bromo-1-(2-methoxyethyl)pyridin-2-one.
What is the SMILES notation for 4-bromo-1-(2-methoxyethyl)pyridin-2-one?
The canonical SMILES for 4-bromo-1-(2-methoxyethyl)pyridin-2-one is COCCn1ccc(Br)cc1=O.
What is the InChIKey of 4-bromo-1-(2-methoxyethyl)pyridin-2-one?
The InChIKey is DIGIWFMOFFHOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2/c1-12-5-4-10-3-2-7(9)6-8(10)11/h2-3,6H,4-5H2,1H3.
What are the key properties of 4-bromo-1-(2-methoxyethyl)pyridin-2-one?
4-bromo-1-(2-methoxyethyl)pyridin-2-one has a molecular weight of 232.08 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-methoxyethyl)pyridin-2-one is sourced from PubChem (CID 124925829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).