3-[(2-bromo-3-pyridinyl)oxy]-N-methylpropanamide

C9H11BrN2O2 — CID 65101915

IUPAC3-[(2-bromo-3-pyridinyl)oxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1cccnc1Br
InChIInChI=1S/C9H11BrN2O2/c1-11-8(13)4-6-14-7-3-2-5-12-9(7)10/h2-3,5H,4,6H2,1H3,(H,11,13)
InChIKeyUSZQSUDEWCWOGZ-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.36
Rot. Bonds4

About 3-[(2-bromo-3-pyridinyl)oxy]-N-methylpropanamide

3-[(2-bromo-3-pyridinyl)oxy]-N-methylpropanamide (PubChem CID 65101915) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 3-[(2-bromo-3-pyridinyl)oxy]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2-bromo-3-pyridinyl)oxy]-N-methylpropanamide
PubChem CID65101915
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name3-[(2-bromo-3-pyridinyl)oxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1cccnc1Br
InChIInChI=1S/C9H11BrN2O2/c1-11-8(13)4-6-14-7-3-2-5-12-9(7)10/h2-3,5H,4,6H2,1H3,(H,11,13)
InChIKeyUSZQSUDEWCWOGZ-UHFFFAOYSA-N
XLogP1.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-[(2-bromo-3-pyridinyl)oxy]-N-methylpropanamide 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

2-[(2-bromo-3-pyridinyl)oxy]ethanol
CID 22036263
N-methyl-3-(2-methylphenoxy)propanamide
CID 60637088
2-bromo-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 103754952
3-(2-cyanophenoxy)-N-methylpropanamide
CID 62326067
2-bromo-3-(3-methylsulfonylpropoxy)pyridine
CID 63239076
3-[2-[(1S)-1-aminoethyl]phenoxy]-N-methylpropanamide
CID 78936451
3-(5-amino-2-bromophenoxy)-N-methylpropanamide
CID 103008818
2-[(2-bromo-3-pyridinyl)oxy]-N-butan-2-ylacetamide
CID 47473943
methyl 4-bromo-5-[2-[(2-bromo-3-pyridinyl)oxy]ethyl]thiophene-2-carboxylate
CID 177195870
2-bromo-3-[2-(4-methoxyphenoxy)ethoxy]pyridine
CID 62047657
3-[4-bromo-2-(methylaminomethyl)phenoxy]-N-methylpropanamide
CID 62325278
3-[2-(aminomethyl)-6-methoxyphenoxy]-N-methylpropanamide
CID 55061826

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-3-pyridinyl)oxy]-N-methylpropanamide?
The IUPAC name of 3-[(2-bromo-3-pyridinyl)oxy]-N-methylpropanamide (CID 65101915) is 3-[(2-bromo-3-pyridinyl)oxy]-N-methylpropanamide.
What is the SMILES notation for 3-[(2-bromo-3-pyridinyl)oxy]-N-methylpropanamide?
The canonical SMILES for 3-[(2-bromo-3-pyridinyl)oxy]-N-methylpropanamide is CNC(=O)CCOc1cccnc1Br.
What is the InChIKey of 3-[(2-bromo-3-pyridinyl)oxy]-N-methylpropanamide?
The InChIKey is USZQSUDEWCWOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-11-8(13)4-6-14-7-3-2-5-12-9(7)10/h2-3,5H,4,6H2,1H3,(H,11,13).
What are the key properties of 3-[(2-bromo-3-pyridinyl)oxy]-N-methylpropanamide?
3-[(2-bromo-3-pyridinyl)oxy]-N-methylpropanamide has a molecular weight of 259.10 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-3-pyridinyl)oxy]-N-methylpropanamide is sourced from PubChem (CID 65101915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).