N-(2-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide

C10H13BrN2O3 — CID 103819290

IUPACN-(2-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)Nc1cccnc1Br
InChIInChI=1S/C10H13BrN2O3/c1-15-5-6-16-7-9(14)13-8-3-2-4-12-10(8)11/h2-4H,5-7H2,1H3,(H,13,14)
InChIKeyVSBWPIZGRUAZHA-UHFFFAOYSA-N
MW289.13 g/mol
LogP1.45
Rot. Bonds6

About N-(2-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide

N-(2-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide (PubChem CID 103819290) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is N-(2-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
PubChem CID103819290
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC NameN-(2-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)Nc1cccnc1Br
InChIInChI=1S/C10H13BrN2O3/c1-15-5-6-16-7-9(14)13-8-3-2-4-12-10(8)11/h2-4H,5-7H2,1H3,(H,13,14)
InChIKeyVSBWPIZGRUAZHA-UHFFFAOYSA-N
XLogP1.45
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103943345
N-(2-bromo-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103819467
2-(2-aminoethoxy)-N-(2-methyl-3-pyridinyl)acetamide
CID 79478921
2-(2-methoxyethoxy)-N-(2-propoxyphenyl)acetamide
CID 103606695
N-[2-(1-bromoethyl)phenyl]-2-(2-methoxyethoxy)acetamide
CID 114032037
N-isoquinolin-8-yl-2-(2-methoxyethoxy)acetamide
CID 103747528
N-(6-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
CID 103789411
methyl 2-hydroxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
CID 108745791
N-(2-bromo-3-pyridinyl)-2-pyridin-3-ylacetamide
CID 103819165
2-chloro-6-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
CID 63724965
N-(2-bromo-3-pyridinyl)-2-methylbutanamide
CID 103819396
2-(2-methoxyethoxy)-N-(1,2-oxazol-3-yl)acetamide
CID 103895196

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-(2-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide (CID 103819290) is N-(2-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-(2-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-(2-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)Nc1cccnc1Br.
What is the InChIKey of N-(2-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide?
The InChIKey is VSBWPIZGRUAZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-15-5-6-16-7-9(14)13-8-3-2-4-12-10(8)11/h2-4H,5-7H2,1H3,(H,13,14).
What are the key properties of N-(2-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide?
N-(2-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide has a molecular weight of 289.13 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 103819290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).