1-(6-bromopyrazin-2-yl)ethanol

C6H7BrN2O — CID 169267662

IUPAC1-(6-bromopyrazin-2-yl)ethanol
SMILESCC(O)c1cncc(Br)n1
InChIInChI=1S/C6H7BrN2O/c1-4(10)5-2-8-3-6(7)9-5/h2-4,10H,1H3
InChIKeyPAQXKSWWHWTLEP-UHFFFAOYSA-N
MW203.04 g/mol
LogP1.29
Rot. Bonds1

About 1-(6-bromopyrazin-2-yl)ethanol

1-(6-bromopyrazin-2-yl)ethanol (PubChem CID 169267662) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is 1-(6-bromopyrazin-2-yl)ethanol.

Molecular Properties

Compound Name1-(6-bromopyrazin-2-yl)ethanol
PubChem CID169267662
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name1-(6-bromopyrazin-2-yl)ethanol
SMILESCC(O)c1cncc(Br)n1
InChIInChI=1S/C6H7BrN2O/c1-4(10)5-2-8-3-6(7)9-5/h2-4,10H,1H3
InChIKeyPAQXKSWWHWTLEP-UHFFFAOYSA-N
XLogP1.29
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromopyrazin-2-yl)ethanol?
The IUPAC name of 1-(6-bromopyrazin-2-yl)ethanol (CID 169267662) is 1-(6-bromopyrazin-2-yl)ethanol.
What is the SMILES notation for 1-(6-bromopyrazin-2-yl)ethanol?
The canonical SMILES for 1-(6-bromopyrazin-2-yl)ethanol is CC(O)c1cncc(Br)n1.
What is the InChIKey of 1-(6-bromopyrazin-2-yl)ethanol?
The InChIKey is PAQXKSWWHWTLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c1-4(10)5-2-8-3-6(7)9-5/h2-4,10H,1H3.
What are the key properties of 1-(6-bromopyrazin-2-yl)ethanol?
1-(6-bromopyrazin-2-yl)ethanol has a molecular weight of 203.04 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromopyrazin-2-yl)ethanol is sourced from PubChem (CID 169267662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).