N-(2-bromo-5-chloro-3-pyridinyl)acetamide

C7H6BrClN2O — CID 130535452

IUPACN-(2-bromo-5-chloro-3-pyridinyl)acetamide
SMILESCC(=O)Nc1cc(Cl)cnc1Br
InChIInChI=1S/C7H6BrClN2O/c1-4(12)11-6-2-5(9)3-10-7(6)8/h2-3H,1H3,(H,11,12)
InChIKeySHUDZJOVJUUQLA-UHFFFAOYSA-N
MW249.50 g/mol
LogP2.46
Rot. Bonds1

About N-(2-bromo-5-chloro-3-pyridinyl)acetamide

N-(2-bromo-5-chloro-3-pyridinyl)acetamide (PubChem CID 130535452) has the molecular formula C7H6BrClN2O and a molecular weight of 249.50 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-3-pyridinyl)acetamide
PubChem CID130535452
Molecular FormulaC7H6BrClN2O
Molecular Weight249.50 g/mol
Exact Mass247.94
IUPAC NameN-(2-bromo-5-chloro-3-pyridinyl)acetamide
SMILESCC(=O)Nc1cc(Cl)cnc1Br
InChIInChI=1S/C7H6BrClN2O/c1-4(12)11-6-2-5(9)3-10-7(6)8/h2-3H,1H3,(H,11,12)
InChIKeySHUDZJOVJUUQLA-UHFFFAOYSA-N
XLogP2.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.50
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-bromo-5-chloro-3-pyridinyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-(2-bromo-5-chloro-3-pyridinyl)acetamide
CID 130535402
N-(2-bromo-5-methyl-3-pyridinyl)acetamide
CID 13467716
N-(5-chloro-2-methyl-3-pyridinyl)acetamide;ethane
CID 142359065
N-(2-bromo-5-chloro-3-pyridinyl)-2-methylpyridine-4-carboxamide
CID 112750056
3-amino-N-(2-bromo-5-chloro-3-pyridinyl)hexanamide
CID 112749983
N-(2-bromo-5-chloro-3-pyridinyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 112750068
ethyl 3-acetamido-5-chloropyridine-2-carboxylate
CID 18980357
2-bromo-5-chloro-N-(2,2-dimethylpropyl)pyridin-3-amine
CID 130535397
N-(2-bromo-5-methyl-3-pyridinyl)prop-2-ynamide
CID 130595304
2-bromo-5-chloro-N-(3,5-dimethylcyclohexyl)pyridin-3-amine
CID 112749920
methyl N-(5-chloro-2-methyl-3-pyridinyl)carbamate
CID 174621984
N-(2-bromo-5-chloro-3-pyridinyl)prop-2-ene-1-sulfonamide
CID 130535524

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-3-pyridinyl)acetamide?
The IUPAC name of N-(2-bromo-5-chloro-3-pyridinyl)acetamide (CID 130535452) is N-(2-bromo-5-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for N-(2-bromo-5-chloro-3-pyridinyl)acetamide?
The canonical SMILES for N-(2-bromo-5-chloro-3-pyridinyl)acetamide is CC(=O)Nc1cc(Cl)cnc1Br.
What is the InChIKey of N-(2-bromo-5-chloro-3-pyridinyl)acetamide?
The InChIKey is SHUDZJOVJUUQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClN2O/c1-4(12)11-6-2-5(9)3-10-7(6)8/h2-3H,1H3,(H,11,12).
What are the key properties of N-(2-bromo-5-chloro-3-pyridinyl)acetamide?
N-(2-bromo-5-chloro-3-pyridinyl)acetamide has a molecular weight of 249.50 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 130535452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).