1-pyridin-2-ylpropan-2-ol

C8H11NO — CID 578865

IUPAC1-pyridin-2-ylpropan-2-ol
SMILESCC(O)Cc1ccccn1
InChIInChI=1S/C8H11NO/c1-7(10)6-8-4-2-3-5-9-8/h2-5,7,10H,6H2,1H3
InChIKeyGAMOMPUVNAWKHH-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.00
Rot. Bonds2

About 1-pyridin-2-ylpropan-2-ol

1-pyridin-2-ylpropan-2-ol (PubChem CID 578865) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1-pyridin-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-pyridin-2-ylpropan-2-ol
PubChem CID578865
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1-pyridin-2-ylpropan-2-ol
SMILESCC(O)Cc1ccccn1
InChIInChI=1S/C8H11NO/c1-7(10)6-8-4-2-3-5-9-8/h2-5,7,10H,6H2,1H3
InChIKeyGAMOMPUVNAWKHH-UHFFFAOYSA-N
XLogP1.00
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylpropan-2-ol?
The IUPAC name of 1-pyridin-2-ylpropan-2-ol (CID 578865) is 1-pyridin-2-ylpropan-2-ol.
What is the SMILES notation for 1-pyridin-2-ylpropan-2-ol?
The canonical SMILES for 1-pyridin-2-ylpropan-2-ol is CC(O)Cc1ccccn1.
What is the InChIKey of 1-pyridin-2-ylpropan-2-ol?
The InChIKey is GAMOMPUVNAWKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-7(10)6-8-4-2-3-5-9-8/h2-5,7,10H,6H2,1H3.
What are the key properties of 1-pyridin-2-ylpropan-2-ol?
1-pyridin-2-ylpropan-2-ol has a molecular weight of 137.18 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylpropan-2-ol is sourced from PubChem (CID 578865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).