3-bromo-5-fluoro-1-(2-methoxyethyl)pyridin-2-one

C8H9BrFNO2 — CID 178099234

IUPAC3-bromo-5-fluoro-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cc(F)cc(Br)c1=O
InChIInChI=1S/C8H9BrFNO2/c1-13-3-2-11-5-6(10)4-7(9)8(11)12/h4-5H,2-3H2,1H3
InChIKeyOJVQZXXMSZERAQ-UHFFFAOYSA-N
MW250.07 g/mol
LogP1.40
Rot. Bonds3

About 3-bromo-5-fluoro-1-(2-methoxyethyl)pyridin-2-one

3-bromo-5-fluoro-1-(2-methoxyethyl)pyridin-2-one (PubChem CID 178099234) has the molecular formula C8H9BrFNO2 and a molecular weight of 250.07 g/mol. Its IUPAC name is 3-bromo-5-fluoro-1-(2-methoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name3-bromo-5-fluoro-1-(2-methoxyethyl)pyridin-2-one
PubChem CID178099234
Molecular FormulaC8H9BrFNO2
Molecular Weight250.07 g/mol
Exact Mass248.98
IUPAC Name3-bromo-5-fluoro-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cc(F)cc(Br)c1=O
InChIInChI=1S/C8H9BrFNO2/c1-13-3-2-11-5-6(10)4-7(9)8(11)12/h4-5H,2-3H2,1H3
InChIKeyOJVQZXXMSZERAQ-UHFFFAOYSA-N
XLogP1.40
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.07
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-1-(2-methoxyethyl)pyridin-2-one?
The IUPAC name of 3-bromo-5-fluoro-1-(2-methoxyethyl)pyridin-2-one (CID 178099234) is 3-bromo-5-fluoro-1-(2-methoxyethyl)pyridin-2-one.
What is the SMILES notation for 3-bromo-5-fluoro-1-(2-methoxyethyl)pyridin-2-one?
The canonical SMILES for 3-bromo-5-fluoro-1-(2-methoxyethyl)pyridin-2-one is COCCn1cc(F)cc(Br)c1=O.
What is the InChIKey of 3-bromo-5-fluoro-1-(2-methoxyethyl)pyridin-2-one?
The InChIKey is OJVQZXXMSZERAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO2/c1-13-3-2-11-5-6(10)4-7(9)8(11)12/h4-5H,2-3H2,1H3.
What are the key properties of 3-bromo-5-fluoro-1-(2-methoxyethyl)pyridin-2-one?
3-bromo-5-fluoro-1-(2-methoxyethyl)pyridin-2-one has a molecular weight of 250.07 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-1-(2-methoxyethyl)pyridin-2-one is sourced from PubChem (CID 178099234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).