2,2,2-tribromo-N-pyridin-4-ylacetamide

C7H5Br3N2O — CID 23576873

IUPAC2,2,2-tribromo-N-pyridin-4-ylacetamide
SMILESO=C(Nc1ccncc1)C(Br)(Br)Br
InChIInChI=1S/C7H5Br3N2O/c8-7(9,10)6(13)12-5-1-3-11-4-2-5/h1-4H,(H,11,12,13)
InChIKeyURRXYASFAYRDSE-UHFFFAOYSA-N
MW372.84 g/mol
LogP2.86
Rot. Bonds1

About 2,2,2-tribromo-N-pyridin-4-ylacetamide

2,2,2-tribromo-N-pyridin-4-ylacetamide (PubChem CID 23576873) has the molecular formula C7H5Br3N2O and a molecular weight of 372.84 g/mol. Its IUPAC name is 2,2,2-tribromo-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2,2,2-tribromo-N-pyridin-4-ylacetamide
PubChem CID23576873
Molecular FormulaC7H5Br3N2O
Molecular Weight372.84 g/mol
Exact Mass369.80
IUPAC Name2,2,2-tribromo-N-pyridin-4-ylacetamide
SMILESO=C(Nc1ccncc1)C(Br)(Br)Br
InChIInChI=1S/C7H5Br3N2O/c8-7(9,10)6(13)12-5-1-3-11-4-2-5/h1-4H,(H,11,12,13)
InChIKeyURRXYASFAYRDSE-UHFFFAOYSA-N
XLogP2.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.84
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-pyridin-4-ylacetamide
CID 4095205
methyl 2,2-dimethyl-3-oxo-3-(pyridin-4-ylamino)propanoate
CID 115174758
3-chloro-2,2-dimethyl-N-pyridin-4-ylpropanamide
CID 63680701
2,2,2-tribromo-N-(4-chlorophenyl)acetamide
CID 10916515
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-pyridin-4-yloctanamide
CID 15164357
1-(4-bromophenyl)-3-pyridin-4-ylurea
CID 677050
1-amino-3-pyridin-4-ylurea
CID 15289585
2-cyano-2-methyl-N-pyridin-4-ylbutanamide
CID 114291006
(2S)-2-hydroxy-2-methyl-3-nitro-N-pyridin-4-ylpropanamide
CID 164680328
2-carbamothioyl-2-methyl-N-pyridin-4-ylbutanamide
CID 114291848
2,5-dibromo-1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide
CID 35828938
1-(3,5-dimethylphenyl)-3-pyridin-4-ylurea
CID 47385463

Frequently Asked Questions

What is the IUPAC name of 2,2,2-tribromo-N-pyridin-4-ylacetamide?
The IUPAC name of 2,2,2-tribromo-N-pyridin-4-ylacetamide (CID 23576873) is 2,2,2-tribromo-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2,2,2-tribromo-N-pyridin-4-ylacetamide?
The canonical SMILES for 2,2,2-tribromo-N-pyridin-4-ylacetamide is O=C(Nc1ccncc1)C(Br)(Br)Br.
What is the InChIKey of 2,2,2-tribromo-N-pyridin-4-ylacetamide?
The InChIKey is URRXYASFAYRDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br3N2O/c8-7(9,10)6(13)12-5-1-3-11-4-2-5/h1-4H,(H,11,12,13).
What are the key properties of 2,2,2-tribromo-N-pyridin-4-ylacetamide?
2,2,2-tribromo-N-pyridin-4-ylacetamide has a molecular weight of 372.84 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-tribromo-N-pyridin-4-ylacetamide is sourced from PubChem (CID 23576873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).