N-(5-amino-3-bromo-2-pyridinyl)-2,4-dibromobenzamide

C12H8Br3N3O — CID 107937535

IUPACN-(5-amino-3-bromo-2-pyridinyl)-2,4-dibromobenzamide
SMILESNc1cnc(NC(=O)c2ccc(Br)cc2Br)c(Br)c1
InChIInChI=1S/C12H8Br3N3O/c13-6-1-2-8(9(14)3-6)12(19)18-11-10(15)4-7(16)5-17-11/h1-5H,16H2,(H,17,18,19)
InChIKeyURCRZAWNJZFEEC-UHFFFAOYSA-N
MW449.93 g/mol
LogP4.20
Rot. Bonds2

About N-(5-amino-3-bromo-2-pyridinyl)-2,4-dibromobenzamide

N-(5-amino-3-bromo-2-pyridinyl)-2,4-dibromobenzamide (PubChem CID 107937535) has the molecular formula C12H8Br3N3O and a molecular weight of 449.93 g/mol. Its IUPAC name is N-(5-amino-3-bromo-2-pyridinyl)-2,4-dibromobenzamide.

Molecular Properties

Compound NameN-(5-amino-3-bromo-2-pyridinyl)-2,4-dibromobenzamide
PubChem CID107937535
Molecular FormulaC12H8Br3N3O
Molecular Weight449.93 g/mol
Exact Mass446.82
IUPAC NameN-(5-amino-3-bromo-2-pyridinyl)-2,4-dibromobenzamide
SMILESNc1cnc(NC(=O)c2ccc(Br)cc2Br)c(Br)c1
InChIInChI=1S/C12H8Br3N3O/c13-6-1-2-8(9(14)3-6)12(19)18-11-10(15)4-7(16)5-17-11/h1-5H,16H2,(H,17,18,19)
InChIKeyURCRZAWNJZFEEC-UHFFFAOYSA-N
XLogP4.20
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.93
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-3-methyl-2-pyridinyl)-2-bromo-4-methylbenzamide
CID 112555464
N-(5-amino-3-bromo-2-pyridinyl)-3-bromo-5-chlorobenzamide
CID 107937536
N-(5-amino-3-bromo-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104669265
N-(5-amino-3-methyl-2-pyridinyl)-5-bromo-2-fluorobenzamide
CID 112555441
N-(5-amino-3-bromo-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669267
N-(5-amino-3-bromo-2-pyridinyl)-2-fluoro-6-hydroxybenzamide
CID 107013249
N-(3,5-dibromo-2-pyridinyl)-2-iodobenzamide
CID 1281652
N-(5-amino-3-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide
CID 79985523
N-(5-amino-3-methyl-2-pyridinyl)-2-bromo-5-methylbenzamide
CID 112555334
5-amino-N-(2,5-dibromophenyl)-2-methylpyridine-3-carboxamide
CID 61466356
2,4-dibromo-N-carbamoylbenzamide
CID 107941660
N-(5-amino-3-bromo-2-pyridinyl)-2-cyclobutylacetamide
CID 103161641

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-bromo-2-pyridinyl)-2,4-dibromobenzamide?
The IUPAC name of N-(5-amino-3-bromo-2-pyridinyl)-2,4-dibromobenzamide (CID 107937535) is N-(5-amino-3-bromo-2-pyridinyl)-2,4-dibromobenzamide.
What is the SMILES notation for N-(5-amino-3-bromo-2-pyridinyl)-2,4-dibromobenzamide?
The canonical SMILES for N-(5-amino-3-bromo-2-pyridinyl)-2,4-dibromobenzamide is Nc1cnc(NC(=O)c2ccc(Br)cc2Br)c(Br)c1.
What is the InChIKey of N-(5-amino-3-bromo-2-pyridinyl)-2,4-dibromobenzamide?
The InChIKey is URCRZAWNJZFEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br3N3O/c13-6-1-2-8(9(14)3-6)12(19)18-11-10(15)4-7(16)5-17-11/h1-5H,16H2,(H,17,18,19).
What are the key properties of N-(5-amino-3-bromo-2-pyridinyl)-2,4-dibromobenzamide?
N-(5-amino-3-bromo-2-pyridinyl)-2,4-dibromobenzamide has a molecular weight of 449.93 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3-bromo-2-pyridinyl)-2,4-dibromobenzamide is sourced from PubChem (CID 107937535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).