quinoxalin-2-ylmethanol

C9H8N2O — CID 905614

IUPACquinoxalin-2-ylmethanol
SMILESOCc1cnc2ccccc2n1
InChIInChI=1S/C9H8N2O/c12-6-7-5-10-8-3-1-2-4-9(8)11-7/h1-5,12H,6H2
InChIKeyPZLGAOXMPNXQBW-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.12
Rot. Bonds1

About quinoxalin-2-ylmethanol

quinoxalin-2-ylmethanol (PubChem CID 905614) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is quinoxalin-2-ylmethanol.

Molecular Properties

Compound Namequinoxalin-2-ylmethanol
PubChem CID905614
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Namequinoxalin-2-ylmethanol
SMILESOCc1cnc2ccccc2n1
InChIInChI=1S/C9H8N2O/c12-6-7-5-10-8-3-1-2-4-9(8)11-7/h1-5,12H,6H2
InChIKeyPZLGAOXMPNXQBW-UHFFFAOYSA-N
XLogP1.12
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of quinoxalin-2-ylmethanol?
The IUPAC name of quinoxalin-2-ylmethanol (CID 905614) is quinoxalin-2-ylmethanol.
What is the SMILES notation for quinoxalin-2-ylmethanol?
The canonical SMILES for quinoxalin-2-ylmethanol is OCc1cnc2ccccc2n1.
What is the InChIKey of quinoxalin-2-ylmethanol?
The InChIKey is PZLGAOXMPNXQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-6-7-5-10-8-3-1-2-4-9(8)11-7/h1-5,12H,6H2.
What are the key properties of quinoxalin-2-ylmethanol?
quinoxalin-2-ylmethanol has a molecular weight of 160.18 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxalin-2-ylmethanol is sourced from PubChem (CID 905614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).