N-(5-bromo-6-chloropyrazin-2-yl)acetamide

C6H5BrClN3O — CID 18403936

IUPACN-(5-bromo-6-chloropyrazin-2-yl)acetamide
SMILESCC(=O)Nc1cnc(Br)c(Cl)n1
InChIInChI=1S/C6H5BrClN3O/c1-3(12)10-4-2-9-5(7)6(8)11-4/h2H,1H3,(H,10,11,12)
InChIKeyCNAGILCKKABCBK-UHFFFAOYSA-N
MW250.48 g/mol
LogP1.85
Rot. Bonds1

About N-(5-bromo-6-chloropyrazin-2-yl)acetamide

N-(5-bromo-6-chloropyrazin-2-yl)acetamide (PubChem CID 18403936) has the molecular formula C6H5BrClN3O and a molecular weight of 250.48 g/mol. Its IUPAC name is N-(5-bromo-6-chloropyrazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-6-chloropyrazin-2-yl)acetamide
PubChem CID18403936
Molecular FormulaC6H5BrClN3O
Molecular Weight250.48 g/mol
Exact Mass248.93
IUPAC NameN-(5-bromo-6-chloropyrazin-2-yl)acetamide
SMILESCC(=O)Nc1cnc(Br)c(Cl)n1
InChIInChI=1S/C6H5BrClN3O/c1-3(12)10-4-2-9-5(7)6(8)11-4/h2H,1H3,(H,10,11,12)
InChIKeyCNAGILCKKABCBK-UHFFFAOYSA-N
XLogP1.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.48
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-chloropyrazin-2-yl)acetamide?
The IUPAC name of N-(5-bromo-6-chloropyrazin-2-yl)acetamide (CID 18403936) is N-(5-bromo-6-chloropyrazin-2-yl)acetamide.
What is the SMILES notation for N-(5-bromo-6-chloropyrazin-2-yl)acetamide?
The canonical SMILES for N-(5-bromo-6-chloropyrazin-2-yl)acetamide is CC(=O)Nc1cnc(Br)c(Cl)n1.
What is the InChIKey of N-(5-bromo-6-chloropyrazin-2-yl)acetamide?
The InChIKey is CNAGILCKKABCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClN3O/c1-3(12)10-4-2-9-5(7)6(8)11-4/h2H,1H3,(H,10,11,12).
What are the key properties of N-(5-bromo-6-chloropyrazin-2-yl)acetamide?
N-(5-bromo-6-chloropyrazin-2-yl)acetamide has a molecular weight of 250.48 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-chloropyrazin-2-yl)acetamide is sourced from PubChem (CID 18403936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).