N-(5-bromo-2-methylphenyl)-6-chloropyrazine-2-carboxamide

C12H9BrClN3O — CID 103337254

IUPACN-(5-bromo-2-methylphenyl)-6-chloropyrazine-2-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)c1cncc(Cl)n1
InChIInChI=1S/C12H9BrClN3O/c1-7-2-3-8(13)4-9(7)17-12(18)10-5-15-6-11(14)16-10/h2-6H,1H3,(H,17,18)
InChIKeyZSLQCRRUFUOQKO-UHFFFAOYSA-N
MW326.58 g/mol
LogP3.45
Rot. Bonds2

About N-(5-bromo-2-methylphenyl)-6-chloropyrazine-2-carboxamide

N-(5-bromo-2-methylphenyl)-6-chloropyrazine-2-carboxamide (PubChem CID 103337254) has the molecular formula C12H9BrClN3O and a molecular weight of 326.58 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-6-chloropyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-6-chloropyrazine-2-carboxamide
PubChem CID103337254
Molecular FormulaC12H9BrClN3O
Molecular Weight326.58 g/mol
Exact Mass324.96
IUPAC NameN-(5-bromo-2-methylphenyl)-6-chloropyrazine-2-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)c1cncc(Cl)n1
InChIInChI=1S/C12H9BrClN3O/c1-7-2-3-8(13)4-9(7)17-12(18)10-5-15-6-11(14)16-10/h2-6H,1H3,(H,17,18)
InChIKeyZSLQCRRUFUOQKO-UHFFFAOYSA-N
XLogP3.45
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(5-cyano-2-methylphenyl)pyrazine-2-carboxamide
CID 106551252
N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyrazine-2-carboxamide
CID 106551752
5-bromo-N-(5-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 43806322
6-chloro-N-(4-chloro-2-methylphenyl)pyrazine-2-carboxamide
CID 103336937
2-amino-N-(5-bromo-2-methylphenyl)-6-chloropyridine-4-carboxamide
CID 62159768
N-(3-bromo-4-pyridinyl)-6-chloropyrazine-2-carboxamide
CID 106551588
N-(5-bromo-2-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 62181788
N-(5-bromo-2-methylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 103892084
N-(5-bromo-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47308279
N-(5-bromo-2-methylphenyl)-4-methylbenzamide
CID 43806352
N-(5-bromo-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43806378
6-chloro-N-(3-fluoro-2-methylphenyl)pyrazine-2-carboxamide
CID 103337581

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-6-chloropyrazine-2-carboxamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-6-chloropyrazine-2-carboxamide (CID 103337254) is N-(5-bromo-2-methylphenyl)-6-chloropyrazine-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-6-chloropyrazine-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-6-chloropyrazine-2-carboxamide is Cc1ccc(Br)cc1NC(=O)c1cncc(Cl)n1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-6-chloropyrazine-2-carboxamide?
The InChIKey is ZSLQCRRUFUOQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O/c1-7-2-3-8(13)4-9(7)17-12(18)10-5-15-6-11(14)16-10/h2-6H,1H3,(H,17,18).
What are the key properties of N-(5-bromo-2-methylphenyl)-6-chloropyrazine-2-carboxamide?
N-(5-bromo-2-methylphenyl)-6-chloropyrazine-2-carboxamide has a molecular weight of 326.58 g/mol, XLogP of 3.45, 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-methylphenyl)-6-chloropyrazine-2-carboxamide is sourced from PubChem (CID 103337254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).