5-bromo-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one

C9H12BrNO4 — CID 86731525

IUPAC5-bromo-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one
SMILESCOCOc1cc(Br)cn(COC)c1=O
InChIInChI=1S/C9H12BrNO4/c1-13-5-11-4-7(10)3-8(9(11)12)15-6-14-2/h3-4H,5-6H2,1-2H3
InChIKeyPADNNDSIHIXWII-UHFFFAOYSA-N
MW278.10 g/mol
LogP1.20
Rot. Bonds5

About 5-bromo-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one

5-bromo-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one (PubChem CID 86731525) has the molecular formula C9H12BrNO4 and a molecular weight of 278.10 g/mol. Its IUPAC name is 5-bromo-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one
PubChem CID86731525
Molecular FormulaC9H12BrNO4
Molecular Weight278.10 g/mol
Exact Mass276.99
IUPAC Name5-bromo-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one
SMILESCOCOc1cc(Br)cn(COC)c1=O
InChIInChI=1S/C9H12BrNO4/c1-13-5-11-4-7(10)3-8(9(11)12)15-6-14-2/h3-4H,5-6H2,1-2H3
InChIKeyPADNNDSIHIXWII-UHFFFAOYSA-N
XLogP1.20
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.10
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-bromo-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Bromo-3-methoxy-1-methyl-1,2-dihydropyridin-2-one
CID 101667718
5-bromo-3-(t-butoxycarbonyloxy)-2(1H)-pyridinone
CID 21702603
5-Bromo-1-ethyl-3-methoxypyridin-2-one
CID 69249655
5-Bromo-3-butoxy-1-methylpyridin-2-one
CID 69935950
5-bromo-1-methyl-3-{[2-(trimethylsilyl)ethoxy]methoxy}pyridin-2(1H)-one
CID 86675486
3-(Methoxymethoxy)-1-(methoxymethyl)-5-methylpyridin-2-one
CID 123389426
5-Bromo-3-ethoxy-1-methylpyridin-2-one
CID 135228010
5-Bromo-1-isopropyl-3-methoxypyridin-2(1H)-one
CID 142597947
3-(Methoxymethoxy)-1-(methoxymethyl)-5-(methylidene-lambda3-bromanyl)pyridin-2-one
CID 144503456
5-Bromo-3-ethoxy-1-ethylpyridin-2-one
CID 155595601
3-(Methoxymethoxy)-1-(methoxymethyl)pyridin-2-one
CID 158872985

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one?
The IUPAC name of 5-bromo-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one (CID 86731525) is 5-bromo-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one.
What is the SMILES notation for 5-bromo-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one?
The canonical SMILES for 5-bromo-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one is COCOc1cc(Br)cn(COC)c1=O.
What is the InChIKey of 5-bromo-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one?
The InChIKey is PADNNDSIHIXWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO4/c1-13-5-11-4-7(10)3-8(9(11)12)15-6-14-2/h3-4H,5-6H2,1-2H3.
What are the key properties of 5-bromo-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one?
5-bromo-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one has a molecular weight of 278.10 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one is sourced from PubChem (CID 86731525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).