2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethanol

C13H13FN2O2 — CID 55096330

IUPAC2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethanol
SMILESCOc1ccc(CC(O)c2cnccn2)cc1F
InChIInChI=1S/C13H13FN2O2/c1-18-13-3-2-9(6-10(13)14)7-12(17)11-8-15-4-5-16-11/h2-6,8,12,17H,7H2,1H3
InChIKeyXVZNUJDPQXGFCA-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.90
Rot. Bonds4

About 2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethanol

2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethanol (PubChem CID 55096330) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethanol.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethanol
PubChem CID55096330
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethanol
SMILESCOc1ccc(CC(O)c2cnccn2)cc1F
InChIInChI=1S/C13H13FN2O2/c1-18-13-3-2-9(6-10(13)14)7-12(17)11-8-15-4-5-16-11/h2-6,8,12,17H,7H2,1H3
InChIKeyXVZNUJDPQXGFCA-UHFFFAOYSA-N
XLogP1.90
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-fluoro-4-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

Related Compounds

N-[2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethyl]propan-1-amine
CID 62601550
2-(3-fluoro-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanol
CID 105084537
2-(3,4-dimethoxyphenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 63969018
2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol
CID 62622685
2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethanamine
CID 63988949
[3-fluoro-4-(1-pyrazin-2-ylethoxy)phenyl]methanamine
CID 117096809
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine
CID 62605642
1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 115782250
2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanol
CID 105084474
1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 79086997
2-(3-fluoro-4-methoxyphenyl)-1-(2-iodophenyl)ethanol
CID 115782342
2-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530632

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethanol?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethanol (CID 55096330) is 2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethanol.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethanol?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethanol is COc1ccc(CC(O)c2cnccn2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethanol?
The InChIKey is XVZNUJDPQXGFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-18-13-3-2-9(6-10(13)14)7-12(17)11-8-15-4-5-16-11/h2-6,8,12,17H,7H2,1H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethanol?
2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethanol has a molecular weight of 248.26 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethanol is sourced from PubChem (CID 55096330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).