2-amino-5-bromo-N-(6-bromo-3-pyridinyl)benzamide

C12H9Br2N3O — CID 114051740

IUPAC2-amino-5-bromo-N-(6-bromo-3-pyridinyl)benzamide
SMILESNc1ccc(Br)cc1C(=O)Nc1ccc(Br)nc1
InChIInChI=1S/C12H9Br2N3O/c13-7-1-3-10(15)9(5-7)12(18)17-8-2-4-11(14)16-6-8/h1-6H,15H2,(H,17,18)
InChIKeyVTIOLEQFHVGMQT-UHFFFAOYSA-N
MW371.03 g/mol
LogP3.44
Rot. Bonds2

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

2-amino-5-bromo-N-(6-bromo-3-pyridinyl)benzamide (PubChem CID 114051740) has the molecular formula C12H9Br2N3O and a molecular weight of 371.03 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(6-bromo-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(6-bromo-3-pyridinyl)benzamide
PubChem CID114051740
Molecular FormulaC12H9Br2N3O
Molecular Weight371.03 g/mol
Exact Mass368.91
IUPAC Name2-amino-5-bromo-N-(6-bromo-3-pyridinyl)benzamide
SMILESNc1ccc(Br)cc1C(=O)Nc1ccc(Br)nc1
InChIInChI=1S/C12H9Br2N3O/c13-7-1-3-10(15)9(5-7)12(18)17-8-2-4-11(14)16-6-8/h1-6H,15H2,(H,17,18)
InChIKeyVTIOLEQFHVGMQT-UHFFFAOYSA-N
XLogP3.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.03
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-3-bromophenyl)-2,5-dibromobenzamide
CID 114367768
N-(6-amino-3-pyridinyl)-4-bromo-2-methylbenzamide
CID 62901139
N-(6-amino-3-pyridinyl)-5-bromo-2-methoxybenzamide
CID 115274447
N-(6-bromo-3-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 103881040
3-amino-N-(6-bromo-3-pyridinyl)-5-fluorobenzamide
CID 114051412
5-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide
CID 78929857
N-(6-bromo-3-pyridinyl)-2-methoxy-4-nitrobenzamide
CID 106509645
4-amino-N-(6-bromo-3-pyridinyl)-1-methylpyrazole-3-carboxamide
CID 114051422
N-(6-bromo-3-pyridinyl)-4-fluorobenzamide
CID 44602373
5-[(2-amino-5-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 115413708
N-(6-bromo-3-pyridinyl)-2-methyl-3-nitrobenzamide
CID 103789431
5-bromo-N-[6-(ethylamino)-3-pyridinyl]-2-fluorobenzamide
CID 115274798

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(6-bromo-3-pyridinyl)benzamide?
The IUPAC name of 2-amino-5-bromo-N-(6-bromo-3-pyridinyl)benzamide (CID 114051740) is 2-amino-5-bromo-N-(6-bromo-3-pyridinyl)benzamide.
What is the SMILES notation for 2-amino-5-bromo-N-(6-bromo-3-pyridinyl)benzamide?
The canonical SMILES for 2-amino-5-bromo-N-(6-bromo-3-pyridinyl)benzamide is Nc1ccc(Br)cc1C(=O)Nc1ccc(Br)nc1.
What is the InChIKey of 2-amino-5-bromo-N-(6-bromo-3-pyridinyl)benzamide?
The InChIKey is VTIOLEQFHVGMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2N3O/c13-7-1-3-10(15)9(5-7)12(18)17-8-2-4-11(14)16-6-8/h1-6H,15H2,(H,17,18).
What are the key properties of 2-amino-5-bromo-N-(6-bromo-3-pyridinyl)benzamide?
2-amino-5-bromo-N-(6-bromo-3-pyridinyl)benzamide has a molecular weight of 371.03 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(6-bromo-3-pyridinyl)benzamide is sourced from PubChem (CID 114051740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).