5-bromo-3-methoxy-1-(3-methylcyclobutyl)pyridin-2-one

C11H14BrNO2 — CID 170110142

IUPAC5-bromo-3-methoxy-1-(3-methylcyclobutyl)pyridin-2-one
SMILESCOc1cc(Br)cn(C2CC(C)C2)c1=O
InChIInChI=1S/C11H14BrNO2/c1-7-3-9(4-7)13-6-8(12)5-10(15-2)11(13)14/h5-7,9H,3-4H2,1-2H3
InChIKeyLSDOAMGIQAKHOV-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.59
Rot. Bonds2

About 5-bromo-3-methoxy-1-(3-methylcyclobutyl)pyridin-2-one

5-bromo-3-methoxy-1-(3-methylcyclobutyl)pyridin-2-one (PubChem CID 170110142) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 5-bromo-3-methoxy-1-(3-methylcyclobutyl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-methoxy-1-(3-methylcyclobutyl)pyridin-2-one
PubChem CID170110142
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name5-bromo-3-methoxy-1-(3-methylcyclobutyl)pyridin-2-one
SMILESCOc1cc(Br)cn(C2CC(C)C2)c1=O
InChIInChI=1S/C11H14BrNO2/c1-7-3-9(4-7)13-6-8(12)5-10(15-2)11(13)14/h5-7,9H,3-4H2,1-2H3
InChIKeyLSDOAMGIQAKHOV-UHFFFAOYSA-N
XLogP2.59
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methoxy-1-(3-methylcyclobutyl)pyridin-2-one?
The IUPAC name of 5-bromo-3-methoxy-1-(3-methylcyclobutyl)pyridin-2-one (CID 170110142) is 5-bromo-3-methoxy-1-(3-methylcyclobutyl)pyridin-2-one.
What is the SMILES notation for 5-bromo-3-methoxy-1-(3-methylcyclobutyl)pyridin-2-one?
The canonical SMILES for 5-bromo-3-methoxy-1-(3-methylcyclobutyl)pyridin-2-one is COc1cc(Br)cn(C2CC(C)C2)c1=O.
What is the InChIKey of 5-bromo-3-methoxy-1-(3-methylcyclobutyl)pyridin-2-one?
The InChIKey is LSDOAMGIQAKHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-7-3-9(4-7)13-6-8(12)5-10(15-2)11(13)14/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 5-bromo-3-methoxy-1-(3-methylcyclobutyl)pyridin-2-one?
5-bromo-3-methoxy-1-(3-methylcyclobutyl)pyridin-2-one has a molecular weight of 272.14 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methoxy-1-(3-methylcyclobutyl)pyridin-2-one is sourced from PubChem (CID 170110142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).