6-bromo-3,5-dichloropyrazine-2-carboxamide

C5H2BrCl2N3O — CID 149496421

IUPAC6-bromo-3,5-dichloropyrazine-2-carboxamide
SMILESNC(=O)c1nc(Br)c(Cl)nc1Cl
InChIInChI=1S/C5H2BrCl2N3O/c6-2-4(8)11-3(7)1(10-2)5(9)12/h(H2,9,12)
InChIKeyZGCXOMMXSAZQLD-UHFFFAOYSA-N
MW270.90 g/mol
LogP1.64
Rot. Bonds1

About 6-bromo-3,5-dichloropyrazine-2-carboxamide

6-bromo-3,5-dichloropyrazine-2-carboxamide (PubChem CID 149496421) has the molecular formula C5H2BrCl2N3O and a molecular weight of 270.90 g/mol. Its IUPAC name is 6-bromo-3,5-dichloropyrazine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-3,5-dichloropyrazine-2-carboxamide
PubChem CID149496421
Molecular FormulaC5H2BrCl2N3O
Molecular Weight270.90 g/mol
Exact Mass268.88
IUPAC Name6-bromo-3,5-dichloropyrazine-2-carboxamide
SMILESNC(=O)c1nc(Br)c(Cl)nc1Cl
InChIInChI=1S/C5H2BrCl2N3O/c6-2-4(8)11-3(7)1(10-2)5(9)12/h(H2,9,12)
InChIKeyZGCXOMMXSAZQLD-UHFFFAOYSA-N
XLogP1.64
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.90
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,5-dichloropyrazine-2-carboxamide?
The IUPAC name of 6-bromo-3,5-dichloropyrazine-2-carboxamide (CID 149496421) is 6-bromo-3,5-dichloropyrazine-2-carboxamide.
What is the SMILES notation for 6-bromo-3,5-dichloropyrazine-2-carboxamide?
The canonical SMILES for 6-bromo-3,5-dichloropyrazine-2-carboxamide is NC(=O)c1nc(Br)c(Cl)nc1Cl.
What is the InChIKey of 6-bromo-3,5-dichloropyrazine-2-carboxamide?
The InChIKey is ZGCXOMMXSAZQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrCl2N3O/c6-2-4(8)11-3(7)1(10-2)5(9)12/h(H2,9,12).
What are the key properties of 6-bromo-3,5-dichloropyrazine-2-carboxamide?
6-bromo-3,5-dichloropyrazine-2-carboxamide has a molecular weight of 270.90 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,5-dichloropyrazine-2-carboxamide is sourced from PubChem (CID 149496421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).