4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide

C13H10Br2N2O — CID 43629940

IUPAC4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)Nc1cccc(Br)n1
InChIInChI=1S/C13H10Br2N2O/c1-8-7-9(14)5-6-10(8)13(18)17-12-4-2-3-11(15)16-12/h2-7H,1H3,(H,16,17,18)
InChIKeyVTXJMNBMTGPETK-UHFFFAOYSA-N
MW370.04 g/mol
LogP4.17
Rot. Bonds2

About 4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide

4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide (PubChem CID 43629940) has the molecular formula C13H10Br2N2O and a molecular weight of 370.04 g/mol. Its IUPAC name is 4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide
PubChem CID43629940
Molecular FormulaC13H10Br2N2O
Molecular Weight370.04 g/mol
Exact Mass367.92
IUPAC Name4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)Nc1cccc(Br)n1
InChIInChI=1S/C13H10Br2N2O/c1-8-7-9(14)5-6-10(8)13(18)17-12-4-2-3-11(15)16-12/h2-7H,1H3,(H,16,17,18)
InChIKeyVTXJMNBMTGPETK-UHFFFAOYSA-N
XLogP4.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.04
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-bromo-2-pyridinyl)-2,4-dimethylbenzamide
CID 43520367
2,4-dibromo-N-(6-bromo-2-pyridinyl)benzamide
CID 103882532
4-bromo-N-(6-bromo-2-pyridinyl)-2-chlorobenzamide
CID 43805504
N-(6-bromo-2-pyridinyl)-5-fluoro-2-methylbenzamide
CID 55134915
4-bromo-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63818565
N-(6-bromo-2-pyridinyl)-3-hydroxy-4-methylbenzamide
CID 43520349
4-bromo-N-(6-chloropyridazin-3-yl)-2-methylbenzamide
CID 115624460
2-bromo-N-(6-bromo-2-pyridinyl)benzamide
CID 43520587
3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide
CID 114022639
N-(6-bromo-2-pyridinyl)-2-methyl-5-nitrobenzamide
CID 47363958
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
N-(6-bromo-2-pyridinyl)-4-fluoro-2-hydroxybenzamide
CID 103829790

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide?
The IUPAC name of 4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide (CID 43629940) is 4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide?
The canonical SMILES for 4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide is Cc1cc(Br)ccc1C(=O)Nc1cccc(Br)n1.
What is the InChIKey of 4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide?
The InChIKey is VTXJMNBMTGPETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O/c1-8-7-9(14)5-6-10(8)13(18)17-12-4-2-3-11(15)16-12/h2-7H,1H3,(H,16,17,18).
What are the key properties of 4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide?
4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide has a molecular weight of 370.04 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide is sourced from PubChem (CID 43629940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).