2-(2-bromo-5-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanol

C14H15BrN2O2 — CID 105100067

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanol
SMILESCOc1ccc(Br)c(CC(O)c2cnc(C)cn2)c1
InChIInChI=1S/C14H15BrN2O2/c1-9-7-17-13(8-16-9)14(18)6-10-5-11(19-2)3-4-12(10)15/h3-5,7-8,14,18H,6H2,1-2H3
InChIKeyXTCXNZKMZXFYOQ-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.83
Rot. Bonds4

About 2-(2-bromo-5-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanol

2-(2-bromo-5-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanol (PubChem CID 105100067) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanol
PubChem CID105100067
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanol
SMILESCOc1ccc(Br)c(CC(O)c2cnc(C)cn2)c1
InChIInChI=1S/C14H15BrN2O2/c1-9-7-17-13(8-16-9)14(18)6-10-5-11(19-2)3-4-12(10)15/h3-5,7-8,14,18H,6H2,1-2H3
InChIKeyXTCXNZKMZXFYOQ-UHFFFAOYSA-N
XLogP2.83
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloropyrazin-3-yl 4-methoxyphenyl methanol
CID 21592995
2-(2-Hydroxy-2-p-methoxyphenylethyl)-6-methylpyrazine
CID 572755
1-(4-Methoxyphenyl)-2-(5-methyl-2-pyrazinyl)ethanol
CID 572756
2-(2-Hydroxy-2-p-methoxyphenylethyl)-3-methylpyrazine
CID 572759
(6-Bromo-5-(2-fluoro-5-methoxyphenyl)pyrazin-2-yl)methanol
CID 118645406
(2R,3R,4S,5S)-2-[(4-bromo-3-methylphenoxy)methyl]-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 171556849
(4-Methoxyphenyl)-pyrazin-2-ylmethanol
CID 60798709
(3-Fluoropyrazin-2-yl)-(4-methoxyphenyl)methanol
CID 15369691
(4-Decoxyphenyl)-(3-fluoropyrazin-2-yl)methanol
CID 21627068
2-(3-Fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethanol
CID 55096330
1-Pyrazin-2-yl-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 62608019
(3-Fluoro-4-methoxyphenyl)-pyrazin-2-ylmethanol
CID 62797485

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanol?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanol (CID 105100067) is 2-(2-bromo-5-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanol.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanol?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanol is COc1ccc(Br)c(CC(O)c2cnc(C)cn2)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanol?
The InChIKey is XTCXNZKMZXFYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-9-7-17-13(8-16-9)14(18)6-10-5-11(19-2)3-4-12(10)15/h3-5,7-8,14,18H,6H2,1-2H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanol?
2-(2-bromo-5-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanol has a molecular weight of 323.19 g/mol, XLogP of 2.83, 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-(5-methylpyrazin-2-yl)ethanol is sourced from PubChem (CID 105100067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).