2-pyridin-4-ylpropan-2-ol

C8H11NO — CID 4580583

IUPAC2-pyridin-4-ylpropan-2-ol
SMILESCC(C)(O)c1ccncc1
InChIInChI=1S/C8H11NO/c1-8(2,10)7-3-5-9-6-4-7/h3-6,10H,1-2H3
InChIKeyWEQVCDIJDUVSID-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.31
Rot. Bonds1

About 2-pyridin-4-ylpropan-2-ol

2-pyridin-4-ylpropan-2-ol (PubChem CID 4580583) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-pyridin-4-ylpropan-2-ol.

Molecular Properties

Compound Name2-pyridin-4-ylpropan-2-ol
PubChem CID4580583
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2-pyridin-4-ylpropan-2-ol
SMILESCC(C)(O)c1ccncc1
InChIInChI=1S/C8H11NO/c1-8(2,10)7-3-5-9-6-4-7/h3-6,10H,1-2H3
InChIKeyWEQVCDIJDUVSID-UHFFFAOYSA-N
XLogP1.31
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-ylpropan-2-ol?
The IUPAC name of 2-pyridin-4-ylpropan-2-ol (CID 4580583) is 2-pyridin-4-ylpropan-2-ol.
What is the SMILES notation for 2-pyridin-4-ylpropan-2-ol?
The canonical SMILES for 2-pyridin-4-ylpropan-2-ol is CC(C)(O)c1ccncc1.
What is the InChIKey of 2-pyridin-4-ylpropan-2-ol?
The InChIKey is WEQVCDIJDUVSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-8(2,10)7-3-5-9-6-4-7/h3-6,10H,1-2H3.
What are the key properties of 2-pyridin-4-ylpropan-2-ol?
2-pyridin-4-ylpropan-2-ol has a molecular weight of 137.18 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-ylpropan-2-ol is sourced from PubChem (CID 4580583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).