5-bromo-1-(4-methoxybutyl)pyridin-2-one

C10H14BrNO2 — CID 115735573

IUPAC5-bromo-1-(4-methoxybutyl)pyridin-2-one
SMILESCOCCCCn1cc(Br)ccc1=O
InChIInChI=1S/C10H14BrNO2/c1-14-7-3-2-6-12-8-9(11)4-5-10(12)13/h4-5,8H,2-3,6-7H2,1H3
InChIKeyQMGWYLANGLSQCL-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.04
Rot. Bonds5

About 5-bromo-1-(4-methoxybutyl)pyridin-2-one

5-bromo-1-(4-methoxybutyl)pyridin-2-one (PubChem CID 115735573) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 5-bromo-1-(4-methoxybutyl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-(4-methoxybutyl)pyridin-2-one
PubChem CID115735573
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name5-bromo-1-(4-methoxybutyl)pyridin-2-one
SMILESCOCCCCn1cc(Br)ccc1=O
InChIInChI=1S/C10H14BrNO2/c1-14-7-3-2-6-12-8-9(11)4-5-10(12)13/h4-5,8H,2-3,6-7H2,1H3
InChIKeyQMGWYLANGLSQCL-UHFFFAOYSA-N
XLogP2.04
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-methoxybutyl)pyridin-2-one?
The IUPAC name of 5-bromo-1-(4-methoxybutyl)pyridin-2-one (CID 115735573) is 5-bromo-1-(4-methoxybutyl)pyridin-2-one.
What is the SMILES notation for 5-bromo-1-(4-methoxybutyl)pyridin-2-one?
The canonical SMILES for 5-bromo-1-(4-methoxybutyl)pyridin-2-one is COCCCCn1cc(Br)ccc1=O.
What is the InChIKey of 5-bromo-1-(4-methoxybutyl)pyridin-2-one?
The InChIKey is QMGWYLANGLSQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-14-7-3-2-6-12-8-9(11)4-5-10(12)13/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 5-bromo-1-(4-methoxybutyl)pyridin-2-one?
5-bromo-1-(4-methoxybutyl)pyridin-2-one has a molecular weight of 260.13 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-methoxybutyl)pyridin-2-one is sourced from PubChem (CID 115735573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).