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

C12H9NOS — CID 3236706

IUPAC3-pyridin-2-yl-1-thiophen-2-ylprop-2-yn-1-ol
SMILESOC(C#Cc1ccccn1)c1cccs1
InChIInChI=1S/C12H9NOS/c14-11(12-5-3-9-15-12)7-6-10-4-1-2-8-13-10/h1-5,8-9,11,14H
InChIKeyGHWRCWIUDGUIKF-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.23
Rot. Bonds1

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

3-pyridin-2-yl-1-thiophen-2-ylprop-2-yn-1-ol (PubChem CID 3236706) has the molecular formula C12H9NOS and a molecular weight of 215.28 g/mol. Its IUPAC name is 3-pyridin-2-yl-1-thiophen-2-ylprop-2-yn-1-ol.

Molecular Properties

Compound Name3-pyridin-2-yl-1-thiophen-2-ylprop-2-yn-1-ol
PubChem CID3236706
Molecular FormulaC12H9NOS
Molecular Weight215.28 g/mol
Exact Mass215.04
IUPAC Name3-pyridin-2-yl-1-thiophen-2-ylprop-2-yn-1-ol
SMILESOC(C#Cc1ccccn1)c1cccs1
InChIInChI=1S/C12H9NOS/c14-11(12-5-3-9-15-12)7-6-10-4-1-2-8-13-10/h1-5,8-9,11,14H
InChIKeyGHWRCWIUDGUIKF-UHFFFAOYSA-N
XLogP2.23
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pyridin-3-yl(thiophen-2-yl)methanol
CID 650499
2-Thiophenemethanol, 5-(3-pyridinyl)-
CID 11816351
(5-(Pyridin-2-yl)thiophen-2-yl)methanol
CID 2776202
2-[4-(Pyridin-3-ylmethyl)piperazin-1-yl]-1-thiophen-2-ylethanol
CID 71783414
2-[Benzyl(pyridin-4-ylmethyl)amino]-1-thiophen-2-ylethanol
CID 71855561
2-[Benzyl(pyridin-2-ylmethyl)amino]-1-thiophen-2-ylethanol
CID 71855576
2-[Benzyl(pyridin-3-ylmethyl)amino]-1-thiophen-2-ylethanol
CID 71921494
2-(2-Thienylethynyl)pyridine
CID 13193702
2-Pyridyl[1-(3-thienylmethyl)-4-piperidyl]methanol
CID 53193318
2-Pyridyl[1-(2-thienylmethyl)-4-piperidyl]methanol
CID 53193339
(6-Thien-2-ylpyrid-3-yl)methanol
CID 15411145
2-[1-(2-Pyridin-4-ylethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol
CID 111858441

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-1-thiophen-2-ylprop-2-yn-1-ol?
The IUPAC name of 3-pyridin-2-yl-1-thiophen-2-ylprop-2-yn-1-ol (CID 3236706) is 3-pyridin-2-yl-1-thiophen-2-ylprop-2-yn-1-ol.
What is the SMILES notation for 3-pyridin-2-yl-1-thiophen-2-ylprop-2-yn-1-ol?
The canonical SMILES for 3-pyridin-2-yl-1-thiophen-2-ylprop-2-yn-1-ol is OC(C#Cc1ccccn1)c1cccs1.
What is the InChIKey of 3-pyridin-2-yl-1-thiophen-2-ylprop-2-yn-1-ol?
The InChIKey is GHWRCWIUDGUIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NOS/c14-11(12-5-3-9-15-12)7-6-10-4-1-2-8-13-10/h1-5,8-9,11,14H.
What are the key properties of 3-pyridin-2-yl-1-thiophen-2-ylprop-2-yn-1-ol?
3-pyridin-2-yl-1-thiophen-2-ylprop-2-yn-1-ol has a molecular weight of 215.28 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-1-thiophen-2-ylprop-2-yn-1-ol is sourced from PubChem (CID 3236706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).