N-(6-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide

C10H13BrN2O3 — CID 103789411

IUPACN-(6-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)Nc1ccc(Br)nc1
InChIInChI=1S/C10H13BrN2O3/c1-15-4-5-16-7-10(14)13-8-2-3-9(11)12-6-8/h2-3,6H,4-5,7H2,1H3,(H,13,14)
InChIKeySZWLHMOPUYGDGN-UHFFFAOYSA-N
MW289.13 g/mol
LogP1.45
Rot. Bonds6

About N-(6-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide

N-(6-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide (PubChem CID 103789411) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
PubChem CID103789411
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC NameN-(6-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)Nc1ccc(Br)nc1
InChIInChI=1S/C10H13BrN2O3/c1-15-4-5-16-7-10(14)13-8-2-3-9(11)12-6-8/h2-3,6H,4-5,7H2,1H3,(H,13,14)
InChIKeySZWLHMOPUYGDGN-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

butane;ethane;methyl N-(6-bromo-3-pyridinyl)carbamate
CID 155739077
N-(6-bromo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 110605088
N-(4-aminophenyl)-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 91844892
N-(6-chloro-5-methyl-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
CID 103730378
2-(2-methoxyethoxy)-N-(4-propylphenyl)acetamide
CID 103606707
N-(6-bromo-3-pyridinyl)-3-(dimethylamino)propanamide
CID 130770751
N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide
CID 110605077
N-(2-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
CID 103819290
N-(6-bromo-3-pyridinyl)-3-phenoxypropanamide
CID 110605094
5-[(2-propoxyacetyl)amino]pyridine-2-carboxylic acid
CID 107938243
N-(6-bromo-3-pyridinyl)-2,2-dimethoxyacetamide
CID 164646765
2-(2-methoxyethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 103606770

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide (CID 103789411) is N-(6-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)Nc1ccc(Br)nc1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide?
The InChIKey is SZWLHMOPUYGDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-15-4-5-16-7-10(14)13-8-2-3-9(11)12-6-8/h2-3,6H,4-5,7H2,1H3,(H,13,14).
What are the key properties of N-(6-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide?
N-(6-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-(6-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 103789411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).