5-bromo-1-propan-2-ylpyridin-2-one

C8H10BrNO — CID 46738820

IUPAC5-bromo-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(Br)ccc1=O
InChIInChI=1S/C8H10BrNO/c1-6(2)10-5-7(9)3-4-8(10)11/h3-6H,1-2H3
InChIKeyULPBSLPRYWCIDD-UHFFFAOYSA-N
MW216.08 g/mol
LogP2.19
Rot. Bonds1

About 5-bromo-1-propan-2-ylpyridin-2-one

5-bromo-1-propan-2-ylpyridin-2-one (PubChem CID 46738820) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is 5-bromo-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-propan-2-ylpyridin-2-one
PubChem CID46738820
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name5-bromo-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(Br)ccc1=O
InChIInChI=1S/C8H10BrNO/c1-6(2)10-5-7(9)3-4-8(10)11/h3-6H,1-2H3
InChIKeyULPBSLPRYWCIDD-UHFFFAOYSA-N
XLogP2.19
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-bromo-1-propan-2-ylpyridin-2-one (CID 46738820) is 5-bromo-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-bromo-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-bromo-1-propan-2-ylpyridin-2-one is CC(C)n1cc(Br)ccc1=O.
What is the InChIKey of 5-bromo-1-propan-2-ylpyridin-2-one?
The InChIKey is ULPBSLPRYWCIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-6(2)10-5-7(9)3-4-8(10)11/h3-6H,1-2H3.
What are the key properties of 5-bromo-1-propan-2-ylpyridin-2-one?
5-bromo-1-propan-2-ylpyridin-2-one has a molecular weight of 216.08 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 46738820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).