2-pyridin-2-ylethanol

C7H9NO — CID 7675

IUPAC2-pyridin-2-ylethanol
SMILESOCCc1ccccn1
InChIInChI=1S/C7H9NO/c9-6-4-7-3-1-2-5-8-7/h1-3,5,9H,4,6H2
InChIKeyBXGYBSJAZFGIPX-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.62
Rot. Bonds2

About 2-pyridin-2-ylethanol

2-pyridin-2-ylethanol (PubChem CID 7675) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 2-pyridin-2-ylethanol.

Molecular Properties

Compound Name2-pyridin-2-ylethanol
PubChem CID7675
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name2-pyridin-2-ylethanol
SMILESOCCc1ccccn1
InChIInChI=1S/C7H9NO/c9-6-4-7-3-1-2-5-8-7/h1-3,5,9H,4,6H2
InChIKeyBXGYBSJAZFGIPX-UHFFFAOYSA-N
XLogP0.62
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylethanol?
The IUPAC name of 2-pyridin-2-ylethanol (CID 7675) is 2-pyridin-2-ylethanol.
What is the SMILES notation for 2-pyridin-2-ylethanol?
The canonical SMILES for 2-pyridin-2-ylethanol is OCCc1ccccn1.
What is the InChIKey of 2-pyridin-2-ylethanol?
The InChIKey is BXGYBSJAZFGIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c9-6-4-7-3-1-2-5-8-7/h1-3,5,9H,4,6H2.
What are the key properties of 2-pyridin-2-ylethanol?
2-pyridin-2-ylethanol has a molecular weight of 123.15 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylethanol is sourced from PubChem (CID 7675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).