N-(5-bromo-3-pyridinyl)-2-methoxyacetamide

C8H9BrN2O2 — CID 130164423

IUPACN-(5-bromo-3-pyridinyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1cncc(Br)c1
InChIInChI=1S/C8H9BrN2O2/c1-13-5-8(12)11-7-2-6(9)3-10-4-7/h2-4H,5H2,1H3,(H,11,12)
InChIKeyQIMGOTSJOPOWDZ-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.43
Rot. Bonds3

About N-(5-bromo-3-pyridinyl)-2-methoxyacetamide

N-(5-bromo-3-pyridinyl)-2-methoxyacetamide (PubChem CID 130164423) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is N-(5-bromo-3-pyridinyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(5-bromo-3-pyridinyl)-2-methoxyacetamide
PubChem CID130164423
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC NameN-(5-bromo-3-pyridinyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1cncc(Br)c1
InChIInChI=1S/C8H9BrN2O2/c1-13-5-8(12)11-7-2-6(9)3-10-4-7/h2-4H,5H2,1H3,(H,11,12)
InChIKeyQIMGOTSJOPOWDZ-UHFFFAOYSA-N
XLogP1.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-(5-methyl-3-pyridinyl)acetamide
CID 103738953
methyl 2-[(5-bromo-3-pyridinyl)amino]-2-oxoacetate
CID 130486481
N-(5-bromo-3-pyridinyl)-2-cyclopropylacetamide
CID 130164428
[4-[(5-bromo-3-pyridinyl)amino]-4-oxobutyl]-methylcarbamic acid
CID 174224336
2-(1-aminocyclohexyl)-N-(5-bromo-3-pyridinyl)acetamide
CID 114222291
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-bromopyridine-3-carboxylate
CID 2605916
N-(4-bromo-2,6-dimethylphenyl)-2-methoxyacetamide
CID 60794685
1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)urea
CID 113338786
2-methoxy-N-(1,2-oxazol-4-yl)acetamide
CID 62415061
N-(3-bromo-4-fluorophenyl)-2-methoxyacetamide
CID 115661537
(2R)-2-amino-N-(5-bromo-3-pyridinyl)-3-hydroxypropanamide
CID 135386318
N-(5-bromo-3-pyridinyl)-2-(5-methylcyclohexa-1,3-dien-1-yl)acetamide
CID 155172186

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-pyridinyl)-2-methoxyacetamide?
The IUPAC name of N-(5-bromo-3-pyridinyl)-2-methoxyacetamide (CID 130164423) is N-(5-bromo-3-pyridinyl)-2-methoxyacetamide.
What is the SMILES notation for N-(5-bromo-3-pyridinyl)-2-methoxyacetamide?
The canonical SMILES for N-(5-bromo-3-pyridinyl)-2-methoxyacetamide is COCC(=O)Nc1cncc(Br)c1.
What is the InChIKey of N-(5-bromo-3-pyridinyl)-2-methoxyacetamide?
The InChIKey is QIMGOTSJOPOWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c1-13-5-8(12)11-7-2-6(9)3-10-4-7/h2-4H,5H2,1H3,(H,11,12).
What are the key properties of N-(5-bromo-3-pyridinyl)-2-methoxyacetamide?
N-(5-bromo-3-pyridinyl)-2-methoxyacetamide has a molecular weight of 245.08 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-pyridinyl)-2-methoxyacetamide is sourced from PubChem (CID 130164423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).