2-(1-pyridin-3-ylprop-2-ynoxy)ethanol

C10H11NO2 — CID 174923212

IUPAC2-(1-pyridin-3-ylprop-2-ynoxy)ethanol
SMILESC#CC(OCCO)c1cccnc1
InChIInChI=1S/C10H11NO2/c1-2-10(13-7-6-12)9-4-3-5-11-8-9/h1,3-5,8,10,12H,6-7H2
InChIKeyIPFLLXKUTKMKEV-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.76
Rot. Bonds4

About 2-(1-pyridin-3-ylprop-2-ynoxy)ethanol

2-(1-pyridin-3-ylprop-2-ynoxy)ethanol (PubChem CID 174923212) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-(1-pyridin-3-ylprop-2-ynoxy)ethanol.

Molecular Properties

Compound Name2-(1-pyridin-3-ylprop-2-ynoxy)ethanol
PubChem CID174923212
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-(1-pyridin-3-ylprop-2-ynoxy)ethanol
SMILESC#CC(OCCO)c1cccnc1
InChIInChI=1S/C10H11NO2/c1-2-10(13-7-6-12)9-4-3-5-11-8-9/h1,3-5,8,10,12H,6-7H2
InChIKeyIPFLLXKUTKMKEV-UHFFFAOYSA-N
XLogP0.76
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-pyridin-3-ylprop-2-ynoxy)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

O-[(1S)-1-pyridin-3-ylprop-2-ynyl]hydroxylamine
CID 93493761
2,2-dipyridin-3-ylethanol
CID 57450821
(4R)-4-amino-4-pyridin-3-ylbutan-1-ol
CID 15886729
4-amino-4-pyridin-3-ylbutan-1-ol
CID 85412290
3-pyridin-3-ylbutan-1-ol
CID 23506282
1-pyridin-3-ylpent-4-yn-1-ol
CID 15085517
3-methoxy-2-pyridin-3-ylpropan-1-ol
CID 117241293
2-amino-2-pyridin-3-ylethanol
CID 2734590
2-ethoxy-1-pyridin-3-ylbutan-1-ol
CID 116711052
N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine
CID 43176996
3-(methylamino)-3-pyridin-3-ylpropan-1-ol
CID 64815324
2-hydroxy-N-(1-pyridin-3-ylethyl)ethanesulfonamide
CID 79588957

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyridin-3-ylprop-2-ynoxy)ethanol?
The IUPAC name of 2-(1-pyridin-3-ylprop-2-ynoxy)ethanol (CID 174923212) is 2-(1-pyridin-3-ylprop-2-ynoxy)ethanol.
What is the SMILES notation for 2-(1-pyridin-3-ylprop-2-ynoxy)ethanol?
The canonical SMILES for 2-(1-pyridin-3-ylprop-2-ynoxy)ethanol is C#CC(OCCO)c1cccnc1.
What is the InChIKey of 2-(1-pyridin-3-ylprop-2-ynoxy)ethanol?
The InChIKey is IPFLLXKUTKMKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-10(13-7-6-12)9-4-3-5-11-8-9/h1,3-5,8,10,12H,6-7H2.
What are the key properties of 2-(1-pyridin-3-ylprop-2-ynoxy)ethanol?
2-(1-pyridin-3-ylprop-2-ynoxy)ethanol has a molecular weight of 177.20 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyridin-3-ylprop-2-ynoxy)ethanol is sourced from PubChem (CID 174923212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).