3-(5-pyridin-2-ylthiophen-2-yl)prop-2-yn-1-ol

C12H9NOS — CID 22631010

IUPAC3-(5-pyridin-2-ylthiophen-2-yl)prop-2-yn-1-ol
SMILESOCC#Cc1ccc(-c2ccccn2)s1
InChIInChI=1S/C12H9NOS/c14-9-3-4-10-6-7-12(15-10)11-5-1-2-8-13-11/h1-2,5-8,14H,9H2
InChIKeyGOQZTPBNBMASHJ-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.15
Rot. Bonds1

About 3-(5-pyridin-2-ylthiophen-2-yl)prop-2-yn-1-ol

3-(5-pyridin-2-ylthiophen-2-yl)prop-2-yn-1-ol (PubChem CID 22631010) has the molecular formula C12H9NOS and a molecular weight of 215.28 g/mol. Its IUPAC name is 3-(5-pyridin-2-ylthiophen-2-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(5-pyridin-2-ylthiophen-2-yl)prop-2-yn-1-ol
PubChem CID22631010
Molecular FormulaC12H9NOS
Molecular Weight215.28 g/mol
Exact Mass215.04
IUPAC Name3-(5-pyridin-2-ylthiophen-2-yl)prop-2-yn-1-ol
SMILESOCC#Cc1ccc(-c2ccccn2)s1
InChIInChI=1S/C12H9NOS/c14-9-3-4-10-6-7-12(15-10)11-5-1-2-8-13-11/h1-2,5-8,14H,9H2
InChIKeyGOQZTPBNBMASHJ-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(5-pyridin-2-ylthiophen-2-yl)prop-2-yn-1-ol?
The IUPAC name of 3-(5-pyridin-2-ylthiophen-2-yl)prop-2-yn-1-ol (CID 22631010) is 3-(5-pyridin-2-ylthiophen-2-yl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(5-pyridin-2-ylthiophen-2-yl)prop-2-yn-1-ol?
The canonical SMILES for 3-(5-pyridin-2-ylthiophen-2-yl)prop-2-yn-1-ol is OCC#Cc1ccc(-c2ccccn2)s1.
What is the InChIKey of 3-(5-pyridin-2-ylthiophen-2-yl)prop-2-yn-1-ol?
The InChIKey is GOQZTPBNBMASHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NOS/c14-9-3-4-10-6-7-12(15-10)11-5-1-2-8-13-11/h1-2,5-8,14H,9H2.
What are the key properties of 3-(5-pyridin-2-ylthiophen-2-yl)prop-2-yn-1-ol?
3-(5-pyridin-2-ylthiophen-2-yl)prop-2-yn-1-ol has a molecular weight of 215.28 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-pyridin-2-ylthiophen-2-yl)prop-2-yn-1-ol is sourced from PubChem (CID 22631010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).