[2-(2-pyrazin-2-ylethynyl)phenyl]methanol

C13H10N2O — CID 12063886

IUPAC[2-(2-pyrazin-2-ylethynyl)phenyl]methanol
SMILESOCc1ccccc1C#Cc1cnccn1
InChIInChI=1S/C13H10N2O/c16-10-12-4-2-1-3-11(12)5-6-13-9-14-7-8-15-13/h1-4,7-9,16H,10H2
InChIKeyQONJBODMHAIBDS-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.37
Rot. Bonds1

About [2-(2-pyrazin-2-ylethynyl)phenyl]methanol

[2-(2-pyrazin-2-ylethynyl)phenyl]methanol (PubChem CID 12063886) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is [2-(2-pyrazin-2-ylethynyl)phenyl]methanol.

Molecular Properties

Compound Name[2-(2-pyrazin-2-ylethynyl)phenyl]methanol
PubChem CID12063886
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name[2-(2-pyrazin-2-ylethynyl)phenyl]methanol
SMILESOCc1ccccc1C#Cc1cnccn1
InChIInChI=1S/C13H10N2O/c16-10-12-4-2-1-3-11(12)5-6-13-9-14-7-8-15-13/h1-4,7-9,16H,10H2
InChIKeyQONJBODMHAIBDS-UHFFFAOYSA-N
XLogP1.37
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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[2-(pyrazin-2-ylmethylamino)phenyl]methanol
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Frequently Asked Questions

What is the IUPAC name of [2-(2-pyrazin-2-ylethynyl)phenyl]methanol?
The IUPAC name of [2-(2-pyrazin-2-ylethynyl)phenyl]methanol (CID 12063886) is [2-(2-pyrazin-2-ylethynyl)phenyl]methanol.
What is the SMILES notation for [2-(2-pyrazin-2-ylethynyl)phenyl]methanol?
The canonical SMILES for [2-(2-pyrazin-2-ylethynyl)phenyl]methanol is OCc1ccccc1C#Cc1cnccn1.
What is the InChIKey of [2-(2-pyrazin-2-ylethynyl)phenyl]methanol?
The InChIKey is QONJBODMHAIBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c16-10-12-4-2-1-3-11(12)5-6-13-9-14-7-8-15-13/h1-4,7-9,16H,10H2.
What are the key properties of [2-(2-pyrazin-2-ylethynyl)phenyl]methanol?
[2-(2-pyrazin-2-ylethynyl)phenyl]methanol has a molecular weight of 210.24 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-pyrazin-2-ylethynyl)phenyl]methanol is sourced from PubChem (CID 12063886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).