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

C8H7NO — CID 3481147

IUPAC3-pyridin-2-ylprop-2-yn-1-ol
SMILESOCC#Cc1ccccn1
InChIInChI=1S/C8H7NO/c10-7-3-5-8-4-1-2-6-9-8/h1-2,4,6,10H,7H2
InChIKeyJBTFIWAQYSBSEZ-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.43
Rot. Bonds

About 3-pyridin-2-ylprop-2-yn-1-ol

3-pyridin-2-ylprop-2-yn-1-ol (PubChem CID 3481147) has the molecular formula C8H7NO and a molecular weight of 133.15 g/mol. Its IUPAC name is 3-pyridin-2-ylprop-2-yn-1-ol.

Molecular Properties

Compound Name3-pyridin-2-ylprop-2-yn-1-ol
PubChem CID3481147
Molecular FormulaC8H7NO
Molecular Weight133.15 g/mol
Exact Mass133.05
IUPAC Name3-pyridin-2-ylprop-2-yn-1-ol
SMILESOCC#Cc1ccccn1
InChIInChI=1S/C8H7NO/c10-7-3-5-8-4-1-2-6-9-8/h1-2,4,6,10H,7H2
InChIKeyJBTFIWAQYSBSEZ-UHFFFAOYSA-N
XLogP0.43
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.43
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 3-pyridin-2-ylprop-2-yn-1-ol?
The IUPAC name of 3-pyridin-2-ylprop-2-yn-1-ol (CID 3481147) is 3-pyridin-2-ylprop-2-yn-1-ol.
What is the SMILES notation for 3-pyridin-2-ylprop-2-yn-1-ol?
The canonical SMILES for 3-pyridin-2-ylprop-2-yn-1-ol is OCC#Cc1ccccn1.
What is the InChIKey of 3-pyridin-2-ylprop-2-yn-1-ol?
The InChIKey is JBTFIWAQYSBSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO/c10-7-3-5-8-4-1-2-6-9-8/h1-2,4,6,10H,7H2.
What are the key properties of 3-pyridin-2-ylprop-2-yn-1-ol?
3-pyridin-2-ylprop-2-yn-1-ol has a molecular weight of 133.15 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-ylprop-2-yn-1-ol is sourced from PubChem (CID 3481147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).