3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide

C12H7Br3N2O — CID 114022639

IUPAC3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide
SMILESO=C(Nc1cccc(Br)n1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H7Br3N2O/c13-8-4-7(5-9(14)6-8)12(18)17-11-3-1-2-10(15)16-11/h1-6H,(H,16,17,18)
InChIKeyXOHKGZFRTCOAKV-UHFFFAOYSA-N
MW434.91 g/mol
LogP4.62
Rot. Bonds2

About 3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide

3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide (PubChem CID 114022639) has the molecular formula C12H7Br3N2O and a molecular weight of 434.91 g/mol. Its IUPAC name is 3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide
PubChem CID114022639
Molecular FormulaC12H7Br3N2O
Molecular Weight434.91 g/mol
Exact Mass431.81
IUPAC Name3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide
SMILESO=C(Nc1cccc(Br)n1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H7Br3N2O/c13-8-4-7(5-9(14)6-8)12(18)17-11-3-1-2-10(15)16-11/h1-6H,(H,16,17,18)
InChIKeyXOHKGZFRTCOAKV-UHFFFAOYSA-N
XLogP4.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.91
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide 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

N-(6-bromo-2-pyridinyl)benzamide
CID 43520453
N-(6-bromo-2-pyridinyl)-4-hydroxybenzamide
CID 43520413
6-bromo-N-(6-bromo-2-pyridinyl)pyridine-3-carboxamide
CID 59408764
2,4-dibromo-N-(6-bromo-2-pyridinyl)benzamide
CID 103882532
N-(6-bromo-2-pyridinyl)-3-hydroxy-4-methylbenzamide
CID 43520349
N-(6-bromo-2-pyridinyl)-4-chloro-3-fluorobenzamide
CID 103875844
6-[(3-bromo-5-fluorobenzoyl)amino]pyridine-2-carboxylic acid
CID 63642371
4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide
CID 43629940
4-bromo-N-(6-bromo-2-pyridinyl)-2-chlorobenzamide
CID 43805504
N-(6-bromo-2-pyridinyl)propanamide
CID 43520454
2-bromo-N-(6-bromo-2-pyridinyl)benzamide
CID 43520587
4,5-dibromo-N-(6-bromo-2-pyridinyl)thiophene-2-carboxamide
CID 78971768

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide?
The IUPAC name of 3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide (CID 114022639) is 3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide is O=C(Nc1cccc(Br)n1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide?
The InChIKey is XOHKGZFRTCOAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br3N2O/c13-8-4-7(5-9(14)6-8)12(18)17-11-3-1-2-10(15)16-11/h1-6H,(H,16,17,18).
What are the key properties of 3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide?
3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide has a molecular weight of 434.91 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide is sourced from PubChem (CID 114022639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).