3-amino-6-bromo-N-(2-fluoroethyl)pyrazine-2-carboxamide

C7H8BrFN4O — CID 126987543

IUPAC3-amino-6-bromo-N-(2-fluoroethyl)pyrazine-2-carboxamide
SMILESNc1ncc(Br)nc1C(=O)NCCF
InChIInChI=1S/C7H8BrFN4O/c8-4-3-12-6(10)5(13-4)7(14)11-2-1-9/h3H,1-2H2,(H2,10,12)(H,11,14)
InChIKeyADOIFSZTUNRTJV-UHFFFAOYSA-N
MW263.07 g/mol
LogP0.52
Rot. Bonds3

About 3-amino-6-bromo-N-(2-fluoroethyl)pyrazine-2-carboxamide

3-amino-6-bromo-N-(2-fluoroethyl)pyrazine-2-carboxamide (PubChem CID 126987543) has the molecular formula C7H8BrFN4O and a molecular weight of 263.07 g/mol. Its IUPAC name is 3-amino-6-bromo-N-(2-fluoroethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-bromo-N-(2-fluoroethyl)pyrazine-2-carboxamide
PubChem CID126987543
Molecular FormulaC7H8BrFN4O
Molecular Weight263.07 g/mol
Exact Mass261.99
IUPAC Name3-amino-6-bromo-N-(2-fluoroethyl)pyrazine-2-carboxamide
SMILESNc1ncc(Br)nc1C(=O)NCCF
InChIInChI=1S/C7H8BrFN4O/c8-4-3-12-6(10)5(13-4)7(14)11-2-1-9/h3H,1-2H2,(H2,10,12)(H,11,14)
InChIKeyADOIFSZTUNRTJV-UHFFFAOYSA-N
XLogP0.52
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.07
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-bromo-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 75512255
3-amino-6-bromopyrazine-2-carboxylic acid
CID 18521600
3-amino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide
CID 129416054
N-(2-adamantyl)-3-amino-6-bromopyrazine-2-carboxamide
CID 121005122
N-[[4-(acetylsulfamoyl)phenyl]methyl]-3-amino-6-bromopyrazine-2-carboxamide
CID 156816533
4-bromo-N-(2-fluoroethyl)-1,2-thiazole-3-carboxamide
CID 164656626
3-amino-6-(trifluoromethyl)pyrazine-2-carbohydrazide
CID 174730169
N-(2-fluoroethyl)-5-hydrazinylpyrazine-2-carboxamide
CID 130504959
N-(2-acetamidoethyl)-3-amino-6-phenylpyrazine-2-carboxamide
CID 10402476
5-bromo-3-ethanimidoylpyrazin-2-amine
CID 143774899
3-amino-N-[2-(4-aminopiperidin-1-yl)phenyl]-6-bromopyrazine-2-carboxamide
CID 88852598
N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide
CID 62154291

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-N-(2-fluoroethyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-bromo-N-(2-fluoroethyl)pyrazine-2-carboxamide (CID 126987543) is 3-amino-6-bromo-N-(2-fluoroethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-bromo-N-(2-fluoroethyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-bromo-N-(2-fluoroethyl)pyrazine-2-carboxamide is Nc1ncc(Br)nc1C(=O)NCCF.
What is the InChIKey of 3-amino-6-bromo-N-(2-fluoroethyl)pyrazine-2-carboxamide?
The InChIKey is ADOIFSZTUNRTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrFN4O/c8-4-3-12-6(10)5(13-4)7(14)11-2-1-9/h3H,1-2H2,(H2,10,12)(H,11,14).
What are the key properties of 3-amino-6-bromo-N-(2-fluoroethyl)pyrazine-2-carboxamide?
3-amino-6-bromo-N-(2-fluoroethyl)pyrazine-2-carboxamide has a molecular weight of 263.07 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-N-(2-fluoroethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 126987543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).