1-(2-bromophenyl)-1-(3-methoxypyrazin-2-yl)ethanol

C13H13BrN2O2 — CID 113421425

IUPAC1-(2-bromophenyl)-1-(3-methoxypyrazin-2-yl)ethanol
SMILESCOc1nccnc1C(C)(O)c1ccccc1Br
InChIInChI=1S/C13H13BrN2O2/c1-13(17,9-5-3-4-6-10(9)14)11-12(18-2)16-8-7-15-11/h3-8,17H,1-2H3
InChIKeyYMJPXYLPHYRHEY-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.50
Rot. Bonds3

About 1-(2-bromophenyl)-1-(3-methoxypyrazin-2-yl)ethanol

1-(2-bromophenyl)-1-(3-methoxypyrazin-2-yl)ethanol (PubChem CID 113421425) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-(3-methoxypyrazin-2-yl)ethanol.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-(3-methoxypyrazin-2-yl)ethanol
PubChem CID113421425
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name1-(2-bromophenyl)-1-(3-methoxypyrazin-2-yl)ethanol
SMILESCOc1nccnc1C(C)(O)c1ccccc1Br
InChIInChI=1S/C13H13BrN2O2/c1-13(17,9-5-3-4-6-10(9)14)11-12(18-2)16-8-7-15-11/h3-8,17H,1-2H3
InChIKeyYMJPXYLPHYRHEY-UHFFFAOYSA-N
XLogP2.50
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-bromophenyl)-1-(3-methoxypyrazin-2-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)ethanol
CID 104514450
1-(3-methoxypyrazin-2-yl)-1-phenylethanol
CID 113421421
1-(5-fluoro-2-pyridinyl)-1-(3-methoxypyrazin-2-yl)ethanol
CID 104514737
1-(3-methoxypyrazin-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 104514467
1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanol
CID 103522810
1-(2-bromophenyl)-1-(4-fluorophenyl)ethanol
CID 60795081
2-(3-methoxypyrazin-2-yl)-N-methylpropan-2-amine
CID 175976338
methyl 3-(2-bromophenyl)-3-hydroxybutanoate
CID 171366058
3-amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)butan-2-ol
CID 113421686
2-(3-methoxypyrazin-2-yl)-2-methylpropan-1-amine
CID 104516755
3-bromo-2-(2-methoxypropan-2-yl)pyridine
CID 151692049
1-(3-bromofuran-2-yl)-1-(2-bromophenyl)ethanol
CID 63948398

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-(3-methoxypyrazin-2-yl)ethanol?
The IUPAC name of 1-(2-bromophenyl)-1-(3-methoxypyrazin-2-yl)ethanol (CID 113421425) is 1-(2-bromophenyl)-1-(3-methoxypyrazin-2-yl)ethanol.
What is the SMILES notation for 1-(2-bromophenyl)-1-(3-methoxypyrazin-2-yl)ethanol?
The canonical SMILES for 1-(2-bromophenyl)-1-(3-methoxypyrazin-2-yl)ethanol is COc1nccnc1C(C)(O)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-1-(3-methoxypyrazin-2-yl)ethanol?
The InChIKey is YMJPXYLPHYRHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-13(17,9-5-3-4-6-10(9)14)11-12(18-2)16-8-7-15-11/h3-8,17H,1-2H3.
What are the key properties of 1-(2-bromophenyl)-1-(3-methoxypyrazin-2-yl)ethanol?
1-(2-bromophenyl)-1-(3-methoxypyrazin-2-yl)ethanol has a molecular weight of 309.16 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-(3-methoxypyrazin-2-yl)ethanol is sourced from PubChem (CID 113421425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).