1-pyridin-2-ylprop-2-yn-1-ol

C8H7NO — CID 22730957

IUPAC1-pyridin-2-ylprop-2-yn-1-ol
SMILESC#CC(O)c1ccccn1
InChIInChI=1S/C8H7NO/c1-2-8(10)7-5-3-4-6-9-7/h1,3-6,8,10H
InChIKeyNVIBNTUUTHBRCQ-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.75
Rot. Bonds1

About 1-pyridin-2-ylprop-2-yn-1-ol

1-pyridin-2-ylprop-2-yn-1-ol (PubChem CID 22730957) has the molecular formula C8H7NO and a molecular weight of 133.15 g/mol. Its IUPAC name is 1-pyridin-2-ylprop-2-yn-1-ol.

Molecular Properties

Compound Name1-pyridin-2-ylprop-2-yn-1-ol
PubChem CID22730957
Molecular FormulaC8H7NO
Molecular Weight133.15 g/mol
Exact Mass133.05
IUPAC Name1-pyridin-2-ylprop-2-yn-1-ol
SMILESC#CC(O)c1ccccn1
InChIInChI=1S/C8H7NO/c1-2-8(10)7-5-3-4-6-9-7/h1,3-6,8,10H
InChIKeyNVIBNTUUTHBRCQ-UHFFFAOYSA-N
XLogP0.75
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylprop-2-yn-1-ol?
The IUPAC name of 1-pyridin-2-ylprop-2-yn-1-ol (CID 22730957) is 1-pyridin-2-ylprop-2-yn-1-ol.
What is the SMILES notation for 1-pyridin-2-ylprop-2-yn-1-ol?
The canonical SMILES for 1-pyridin-2-ylprop-2-yn-1-ol is C#CC(O)c1ccccn1.
What is the InChIKey of 1-pyridin-2-ylprop-2-yn-1-ol?
The InChIKey is NVIBNTUUTHBRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO/c1-2-8(10)7-5-3-4-6-9-7/h1,3-6,8,10H.
What are the key properties of 1-pyridin-2-ylprop-2-yn-1-ol?
1-pyridin-2-ylprop-2-yn-1-ol has a molecular weight of 133.15 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylprop-2-yn-1-ol is sourced from PubChem (CID 22730957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).