2-(5-bromo-2-oxo-1-pyridinyl)-N-cyanoacetamide

C8H6BrN3O2 — CID 79194945

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-cyanoacetamide
SMILESN#CNC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C8H6BrN3O2/c9-6-1-2-8(14)12(3-6)4-7(13)11-5-10/h1-3H,4H2,(H,11,13)
InChIKeyIQTBUBWFXBHGDZ-UHFFFAOYSA-N
MW256.06 g/mol
LogP0.21
Rot. Bonds2

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-cyanoacetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-cyanoacetamide (PubChem CID 79194945) has the molecular formula C8H6BrN3O2 and a molecular weight of 256.06 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-cyanoacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-cyanoacetamide
PubChem CID79194945
Molecular FormulaC8H6BrN3O2
Molecular Weight256.06 g/mol
Exact Mass254.96
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-cyanoacetamide
SMILESN#CNC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C8H6BrN3O2/c9-6-1-2-8(14)12(3-6)4-7(13)11-5-10/h1-3H,4H2,(H,11,13)
InChIKeyIQTBUBWFXBHGDZ-UHFFFAOYSA-N
XLogP0.21
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.06
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(methylamino)ethyl]acetamide
CID 119503564
2-[[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetyl]amino]acetic acid
CID 43465461
2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764818
2-(5-bromo-2-oxo-1-pyridinyl)-N-(4-iodophenyl)acetamide
CID 26217273
(2R)-2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxypropanoic acid
CID 80750807
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,6-dimethylphenyl)acetamide
CID 26217251
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 94414346
(2S)-2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 61144242
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-propylacetamide
CID 78815021
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide
CID 64558178
(2S)-4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-hydroxybutanoic acid
CID 114006601
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-ethylphenyl)acetamide
CID 26051552

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-cyanoacetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-cyanoacetamide (CID 79194945) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-cyanoacetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-cyanoacetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-cyanoacetamide is N#CNC(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-cyanoacetamide?
The InChIKey is IQTBUBWFXBHGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O2/c9-6-1-2-8(14)12(3-6)4-7(13)11-5-10/h1-3H,4H2,(H,11,13).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-cyanoacetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-cyanoacetamide has a molecular weight of 256.06 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-N-cyanoacetamide is sourced from PubChem (CID 79194945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).