1-(5-bromo-6-methylpyrazin-2-yl)propan-2-one

C8H9BrN2O — CID 83840150

IUPAC1-(5-bromo-6-methylpyrazin-2-yl)propan-2-one
SMILESCC(=O)Cc1cnc(Br)c(C)n1
InChIInChI=1S/C8H9BrN2O/c1-5(12)3-7-4-10-8(9)6(2)11-7/h4H,3H2,1-2H3
InChIKeyQWRZBDNDTHCDDK-UHFFFAOYSA-N
MW229.08 g/mol
LogP1.68
Rot. Bonds2

About 1-(5-bromo-6-methylpyrazin-2-yl)propan-2-one

1-(5-bromo-6-methylpyrazin-2-yl)propan-2-one (PubChem CID 83840150) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is 1-(5-bromo-6-methylpyrazin-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(5-bromo-6-methylpyrazin-2-yl)propan-2-one
PubChem CID83840150
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC Name1-(5-bromo-6-methylpyrazin-2-yl)propan-2-one
SMILESCC(=O)Cc1cnc(Br)c(C)n1
InChIInChI=1S/C8H9BrN2O/c1-5(12)3-7-4-10-8(9)6(2)11-7/h4H,3H2,1-2H3
InChIKeyQWRZBDNDTHCDDK-UHFFFAOYSA-N
XLogP1.68
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-6-methyl-2-pyridinyl)propan-2-one
CID 146999410
1-(4-chloro-2-pyridinyl)propan-2-one
CID 68541993
1-(5-cyclopropyl-2-methyl-3-pyridinyl)propan-2-one
CID 139524310
1-[6-(aminomethyl)-2-pyridinyl]propan-2-one
CID 118396926
2-methyl-5-(2-oxopropyl)pyridine-3-carboxylic acid
CID 174862227
1-(3-amino-5-bromo-2-pyridinyl)propan-2-one
CID 118668755
1-(2-methylsulfanylpyrimidin-4-yl)propan-2-one
CID 59606606
1-(2-amino-1,3-thiazol-4-yl)propan-2-one
CID 22977217
1-(6-aminopyrimidin-4-yl)propan-2-one
CID 83857213
1-(1,5-dimethylimidazol-2-yl)propan-2-one
CID 59225880
1-(2-pentan-3-yl-1,3-thiazol-4-yl)propan-2-one
CID 118396881
2-bromo-5-(fluoromethyl)-4-methylpyrimidine
CID 105456948

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-6-methylpyrazin-2-yl)propan-2-one?
The IUPAC name of 1-(5-bromo-6-methylpyrazin-2-yl)propan-2-one (CID 83840150) is 1-(5-bromo-6-methylpyrazin-2-yl)propan-2-one.
What is the SMILES notation for 1-(5-bromo-6-methylpyrazin-2-yl)propan-2-one?
The canonical SMILES for 1-(5-bromo-6-methylpyrazin-2-yl)propan-2-one is CC(=O)Cc1cnc(Br)c(C)n1.
What is the InChIKey of 1-(5-bromo-6-methylpyrazin-2-yl)propan-2-one?
The InChIKey is QWRZBDNDTHCDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c1-5(12)3-7-4-10-8(9)6(2)11-7/h4H,3H2,1-2H3.
What are the key properties of 1-(5-bromo-6-methylpyrazin-2-yl)propan-2-one?
1-(5-bromo-6-methylpyrazin-2-yl)propan-2-one has a molecular weight of 229.08 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-6-methylpyrazin-2-yl)propan-2-one is sourced from PubChem (CID 83840150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).