2-(2-bromo-5-methoxyphenyl)-1-pyrazin-2-ylethanol

C13H13BrN2O2 — CID 65325199

IUPAC2-(2-bromo-5-methoxyphenyl)-1-pyrazin-2-ylethanol
SMILESCOc1ccc(Br)c(CC(O)c2cnccn2)c1
InChIInChI=1S/C13H13BrN2O2/c1-18-10-2-3-11(14)9(6-10)7-13(17)12-8-15-4-5-16-12/h2-6,8,13,17H,7H2,1H3
InChIKeyGBZKDNXRXUHFIV-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.52
Rot. Bonds4

About 2-(2-bromo-5-methoxyphenyl)-1-pyrazin-2-ylethanol

2-(2-bromo-5-methoxyphenyl)-1-pyrazin-2-ylethanol (PubChem CID 65325199) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-pyrazin-2-ylethanol.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-pyrazin-2-ylethanol
PubChem CID65325199
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-pyrazin-2-ylethanol
SMILESCOc1ccc(Br)c(CC(O)c2cnccn2)c1
InChIInChI=1S/C13H13BrN2O2/c1-18-10-2-3-11(14)9(6-10)7-13(17)12-8-15-4-5-16-12/h2-6,8,13,17H,7H2,1H3
InChIKeyGBZKDNXRXUHFIV-UHFFFAOYSA-N
XLogP2.52
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromo-5-methoxyphenyl)-1-pyrazin-2-ylethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-pyrazin-2-ylethanol?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-pyrazin-2-ylethanol (CID 65325199) is 2-(2-bromo-5-methoxyphenyl)-1-pyrazin-2-ylethanol.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-pyrazin-2-ylethanol?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-pyrazin-2-ylethanol is COc1ccc(Br)c(CC(O)c2cnccn2)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-pyrazin-2-ylethanol?
The InChIKey is GBZKDNXRXUHFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-18-10-2-3-11(14)9(6-10)7-13(17)12-8-15-4-5-16-12/h2-6,8,13,17H,7H2,1H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-pyrazin-2-ylethanol?
2-(2-bromo-5-methoxyphenyl)-1-pyrazin-2-ylethanol has a molecular weight of 309.16 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-pyrazin-2-ylethanol is sourced from PubChem (CID 65325199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).