5-bromo-4-ethoxy-1-methylpyridin-2-one

C8H10BrNO2 — CID 90027693

IUPAC5-bromo-4-ethoxy-1-methylpyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1Br
InChIInChI=1S/C8H10BrNO2/c1-3-12-7-4-8(11)10(2)5-6(7)9/h4-5H,3H2,1-2H3
InChIKeyOCFPVZWXLARJEV-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.55
Rot. Bonds2

About 5-bromo-4-ethoxy-1-methylpyridin-2-one

5-bromo-4-ethoxy-1-methylpyridin-2-one (PubChem CID 90027693) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is 5-bromo-4-ethoxy-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-bromo-4-ethoxy-1-methylpyridin-2-one
PubChem CID90027693
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC Name5-bromo-4-ethoxy-1-methylpyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1Br
InChIInChI=1S/C8H10BrNO2/c1-3-12-7-4-8(11)10(2)5-6(7)9/h4-5H,3H2,1-2H3
InChIKeyOCFPVZWXLARJEV-UHFFFAOYSA-N
XLogP1.55
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-ethoxy-1-methylpyridin-2-one?
The IUPAC name of 5-bromo-4-ethoxy-1-methylpyridin-2-one (CID 90027693) is 5-bromo-4-ethoxy-1-methylpyridin-2-one.
What is the SMILES notation for 5-bromo-4-ethoxy-1-methylpyridin-2-one?
The canonical SMILES for 5-bromo-4-ethoxy-1-methylpyridin-2-one is CCOc1cc(=O)n(C)cc1Br.
What is the InChIKey of 5-bromo-4-ethoxy-1-methylpyridin-2-one?
The InChIKey is OCFPVZWXLARJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2/c1-3-12-7-4-8(11)10(2)5-6(7)9/h4-5H,3H2,1-2H3.
What are the key properties of 5-bromo-4-ethoxy-1-methylpyridin-2-one?
5-bromo-4-ethoxy-1-methylpyridin-2-one has a molecular weight of 232.08 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-ethoxy-1-methylpyridin-2-one is sourced from PubChem (CID 90027693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).