2-(3-bromothiophen-2-yl)-1-pyrazin-2-ylethanol

C10H9BrN2OS — CID 62605955

IUPAC2-(3-bromothiophen-2-yl)-1-pyrazin-2-ylethanol
SMILESOC(Cc1sccc1Br)c1cnccn1
InChIInChI=1S/C10H9BrN2OS/c11-7-1-4-15-10(7)5-9(14)8-6-12-2-3-13-8/h1-4,6,9,14H,5H2
InChIKeyYOFKRMITLJOMDA-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.58
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-pyrazin-2-ylethanol

2-(3-bromothiophen-2-yl)-1-pyrazin-2-ylethanol (PubChem CID 62605955) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-pyrazin-2-ylethanol.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-pyrazin-2-ylethanol
PubChem CID62605955
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC Name2-(3-bromothiophen-2-yl)-1-pyrazin-2-ylethanol
SMILESOC(Cc1sccc1Br)c1cnccn1
InChIInChI=1S/C10H9BrN2OS/c11-7-1-4-15-10(7)5-9(14)8-6-12-2-3-13-8/h1-4,6,9,14H,5H2
InChIKeyYOFKRMITLJOMDA-UHFFFAOYSA-N
XLogP2.58
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-pyrazin-2-ylethanol?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-pyrazin-2-ylethanol (CID 62605955) is 2-(3-bromothiophen-2-yl)-1-pyrazin-2-ylethanol.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-pyrazin-2-ylethanol?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-pyrazin-2-ylethanol is OC(Cc1sccc1Br)c1cnccn1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-pyrazin-2-ylethanol?
The InChIKey is YOFKRMITLJOMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c11-7-1-4-15-10(7)5-9(14)8-6-12-2-3-13-8/h1-4,6,9,14H,5H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-pyrazin-2-ylethanol?
2-(3-bromothiophen-2-yl)-1-pyrazin-2-ylethanol has a molecular weight of 285.17 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-pyrazin-2-ylethanol is sourced from PubChem (CID 62605955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).