N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dimethylpyridine-3-carboxamide

C13H11BrClN3O — CID 102979497

IUPACN-(5-bromo-2-chloro-3-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(Br)cnc2Cl)c(C)n1
InChIInChI=1S/C13H11BrClN3O/c1-7-3-4-10(8(2)17-7)13(19)18-11-5-9(14)6-16-12(11)15/h3-6H,1-2H3,(H,18,19)
InChIKeyKIVNKQPCUMOCTQ-UHFFFAOYSA-N
MW340.61 g/mol
LogP3.76
Rot. Bonds2

About N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dimethylpyridine-3-carboxamide

N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 102979497) has the molecular formula C13H11BrClN3O and a molecular weight of 340.61 g/mol. Its IUPAC name is N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-chloro-3-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID102979497
Molecular FormulaC13H11BrClN3O
Molecular Weight340.61 g/mol
Exact Mass338.98
IUPAC NameN-(5-bromo-2-chloro-3-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(Br)cnc2Cl)c(C)n1
InChIInChI=1S/C13H11BrClN3O/c1-7-3-4-10(8(2)17-7)13(19)18-11-5-9(14)6-16-12(11)15/h3-6H,1-2H3,(H,18,19)
InChIKeyKIVNKQPCUMOCTQ-UHFFFAOYSA-N
XLogP3.76
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.61
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-chloro-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 102979134
N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 102979453
N-(5-bromo-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47308279
N-(2-bromo-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 81024100
N-(5-bromo-2-chloro-3-pyridinyl)-2-hydroxybenzamide
CID 102979359
N-(5-bromo-2-chloro-3-pyridinyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 114052084
N-(5-bromo-2-chloro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 102979254
2-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-5-methoxybenzamide
CID 102979484
N-(2-amino-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830415
N-(5-bromo-2-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 102979124
N-(3-bromophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47299315
5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-carboxamide
CID 62001176

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dimethylpyridine-3-carboxamide (CID 102979497) is N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cc(Br)cnc2Cl)c(C)n1.
What is the InChIKey of N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is KIVNKQPCUMOCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O/c1-7-3-4-10(8(2)17-7)13(19)18-11-5-9(14)6-16-12(11)15/h3-6H,1-2H3,(H,18,19).
What are the key properties of N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dimethylpyridine-3-carboxamide?
N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 340.61 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 102979497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).