5-bromo-4-methoxy-1-(3-methoxypropyl)pyridin-2-one

C10H14BrNO3 — CID 75505872

IUPAC5-bromo-4-methoxy-1-(3-methoxypropyl)pyridin-2-one
SMILESCOCCCn1cc(Br)c(OC)cc1=O
InChIInChI=1S/C10H14BrNO3/c1-14-5-3-4-12-7-8(11)9(15-2)6-10(12)13/h6-7H,3-5H2,1-2H3
InChIKeyFOPSXUXQTGDIFC-UHFFFAOYSA-N
MW276.13 g/mol
LogP1.66
Rot. Bonds5

About 5-bromo-4-methoxy-1-(3-methoxypropyl)pyridin-2-one

5-bromo-4-methoxy-1-(3-methoxypropyl)pyridin-2-one (PubChem CID 75505872) has the molecular formula C10H14BrNO3 and a molecular weight of 276.13 g/mol. Its IUPAC name is 5-bromo-4-methoxy-1-(3-methoxypropyl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-4-methoxy-1-(3-methoxypropyl)pyridin-2-one
PubChem CID75505872
Molecular FormulaC10H14BrNO3
Molecular Weight276.13 g/mol
Exact Mass275.02
IUPAC Name5-bromo-4-methoxy-1-(3-methoxypropyl)pyridin-2-one
SMILESCOCCCn1cc(Br)c(OC)cc1=O
InChIInChI=1S/C10H14BrNO3/c1-14-5-3-4-12-7-8(11)9(15-2)6-10(12)13/h6-7H,3-5H2,1-2H3
InChIKeyFOPSXUXQTGDIFC-UHFFFAOYSA-N
XLogP1.66
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-4-methoxy-1-(3-methoxypropyl)pyridin-2-one?
The IUPAC name of 5-bromo-4-methoxy-1-(3-methoxypropyl)pyridin-2-one (CID 75505872) is 5-bromo-4-methoxy-1-(3-methoxypropyl)pyridin-2-one.
What is the SMILES notation for 5-bromo-4-methoxy-1-(3-methoxypropyl)pyridin-2-one?
The canonical SMILES for 5-bromo-4-methoxy-1-(3-methoxypropyl)pyridin-2-one is COCCCn1cc(Br)c(OC)cc1=O.
What is the InChIKey of 5-bromo-4-methoxy-1-(3-methoxypropyl)pyridin-2-one?
The InChIKey is FOPSXUXQTGDIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3/c1-14-5-3-4-12-7-8(11)9(15-2)6-10(12)13/h6-7H,3-5H2,1-2H3.
What are the key properties of 5-bromo-4-methoxy-1-(3-methoxypropyl)pyridin-2-one?
5-bromo-4-methoxy-1-(3-methoxypropyl)pyridin-2-one has a molecular weight of 276.13 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-1-(3-methoxypropyl)pyridin-2-one is sourced from PubChem (CID 75505872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).