2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-nitrobenzamide

C13H9Br2N3O3 — CID 103910150

IUPAC2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-nitrobenzamide
SMILESCc1nc(Br)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C13H9Br2N3O3/c1-7-11(4-5-12(15)16-7)17-13(19)9-6-8(18(20)21)2-3-10(9)14/h2-6H,1H3,(H,17,19)
InChIKeyHLBMOZBECBTWGZ-UHFFFAOYSA-N
MW415.04 g/mol
LogP4.08
Rot. Bonds3

About 2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-nitrobenzamide

2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-nitrobenzamide (PubChem CID 103910150) has the molecular formula C13H9Br2N3O3 and a molecular weight of 415.04 g/mol. Its IUPAC name is 2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-nitrobenzamide
PubChem CID103910150
Molecular FormulaC13H9Br2N3O3
Molecular Weight415.04 g/mol
Exact Mass412.90
IUPAC Name2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-nitrobenzamide
SMILESCc1nc(Br)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C13H9Br2N3O3/c1-7-11(4-5-12(15)16-7)17-13(19)9-6-8(18(20)21)2-3-10(9)14/h2-6H,1H3,(H,17,19)
InChIKeyHLBMOZBECBTWGZ-UHFFFAOYSA-N
XLogP4.08
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.04
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-N-(6-bromo-2-methyl-3-pyridinyl)benzamide
CID 104920609
2-bromo-N-(2-bromo-4-nitrophenyl)-5-methylbenzamide
CID 81109764
2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-methoxybenzamide
CID 103909645
2-bromo-5-methyl-N-(2-methyl-4-nitrophenyl)benzamide
CID 81110110
2-bromo-N-(2-bromo-4-chlorophenyl)-5-nitrobenzamide
CID 81027167
2-bromo-N-(2-chloro-4-nitrophenyl)-5-methylbenzamide
CID 81003282
2-bromo-N-(2-methoxyphenyl)-5-nitrobenzamide
CID 1371919
2-bromo-N-(2-methyl-4-pyridinyl)-5-nitrobenzamide
CID 79240934
N-(5-bromo-6-methyl-2-pyridinyl)-2-fluoro-5-nitrobenzamide
CID 79041372
5-amino-2-bromo-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107744382
6-bromo-N-(2-methyl-5-nitrophenyl)pyridine-2-carboxamide
CID 103874163
N-(6-bromo-2-pyridinyl)-2-methyl-5-nitrobenzamide
CID 47363958

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-nitrobenzamide?
The IUPAC name of 2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-nitrobenzamide (CID 103910150) is 2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-nitrobenzamide.
What is the SMILES notation for 2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-nitrobenzamide?
The canonical SMILES for 2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-nitrobenzamide is Cc1nc(Br)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Br.
What is the InChIKey of 2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-nitrobenzamide?
The InChIKey is HLBMOZBECBTWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2N3O3/c1-7-11(4-5-12(15)16-7)17-13(19)9-6-8(18(20)21)2-3-10(9)14/h2-6H,1H3,(H,17,19).
What are the key properties of 2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-nitrobenzamide?
2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-nitrobenzamide has a molecular weight of 415.04 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-nitrobenzamide is sourced from PubChem (CID 103910150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).