1-(3-chlorophenyl)-1-pyrazin-2-ylethanol

C12H11ClN2O — CID 63969631

IUPAC1-(3-chlorophenyl)-1-pyrazin-2-ylethanol
SMILESCC(O)(c1cccc(Cl)c1)c1cnccn1
InChIInChI=1S/C12H11ClN2O/c1-12(16,11-8-14-5-6-15-11)9-3-2-4-10(13)7-9/h2-8,16H,1H3
InChIKeyIGDAACSJRSTVBY-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.39
Rot. Bonds2

About 1-(3-chlorophenyl)-1-pyrazin-2-ylethanol

1-(3-chlorophenyl)-1-pyrazin-2-ylethanol (PubChem CID 63969631) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-pyrazin-2-ylethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-pyrazin-2-ylethanol
PubChem CID63969631
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name1-(3-chlorophenyl)-1-pyrazin-2-ylethanol
SMILESCC(O)(c1cccc(Cl)c1)c1cnccn1
InChIInChI=1S/C12H11ClN2O/c1-12(16,11-8-14-5-6-15-11)9-3-2-4-10(13)7-9/h2-8,16H,1H3
InChIKeyIGDAACSJRSTVBY-UHFFFAOYSA-N
XLogP2.39
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-pyrazin-2-ylethanol?
The IUPAC name of 1-(3-chlorophenyl)-1-pyrazin-2-ylethanol (CID 63969631) is 1-(3-chlorophenyl)-1-pyrazin-2-ylethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-1-pyrazin-2-ylethanol?
The canonical SMILES for 1-(3-chlorophenyl)-1-pyrazin-2-ylethanol is CC(O)(c1cccc(Cl)c1)c1cnccn1.
What is the InChIKey of 1-(3-chlorophenyl)-1-pyrazin-2-ylethanol?
The InChIKey is IGDAACSJRSTVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-12(16,11-8-14-5-6-15-11)9-3-2-4-10(13)7-9/h2-8,16H,1H3.
What are the key properties of 1-(3-chlorophenyl)-1-pyrazin-2-ylethanol?
1-(3-chlorophenyl)-1-pyrazin-2-ylethanol has a molecular weight of 234.69 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-pyrazin-2-ylethanol is sourced from PubChem (CID 63969631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).