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

C12H9NOS — CID 612013

IUPAC3-(5-pyridin-3-ylthiophen-2-yl)prop-2-yn-1-ol
SMILESOCC#Cc1ccc(-c2cccnc2)s1
InChIInChI=1S/C12H9NOS/c14-8-2-4-11-5-6-12(15-11)10-3-1-7-13-9-10/h1,3,5-7,9,14H,8H2
InChIKeyOIZOYJMPYAEWAK-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.15
Rot. Bonds1

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

3-(5-pyridin-3-ylthiophen-2-yl)prop-2-yn-1-ol (PubChem CID 612013) has the molecular formula C12H9NOS and a molecular weight of 215.28 g/mol. Its IUPAC name is 3-(5-pyridin-3-ylthiophen-2-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(5-pyridin-3-ylthiophen-2-yl)prop-2-yn-1-ol
PubChem CID612013
Molecular FormulaC12H9NOS
Molecular Weight215.28 g/mol
Exact Mass215.04
IUPAC Name3-(5-pyridin-3-ylthiophen-2-yl)prop-2-yn-1-ol
SMILESOCC#Cc1ccc(-c2cccnc2)s1
InChIInChI=1S/C12H9NOS/c14-8-2-4-11-5-6-12(15-11)10-3-1-7-13-9-10/h1,3,5-7,9,14H,8H2
InChIKeyOIZOYJMPYAEWAK-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-3-ylthiophen-2-yl)prop-2-yn-1-ol?
The IUPAC name of 3-(5-pyridin-3-ylthiophen-2-yl)prop-2-yn-1-ol (CID 612013) is 3-(5-pyridin-3-ylthiophen-2-yl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(5-pyridin-3-ylthiophen-2-yl)prop-2-yn-1-ol?
The canonical SMILES for 3-(5-pyridin-3-ylthiophen-2-yl)prop-2-yn-1-ol is OCC#Cc1ccc(-c2cccnc2)s1.
What is the InChIKey of 3-(5-pyridin-3-ylthiophen-2-yl)prop-2-yn-1-ol?
The InChIKey is OIZOYJMPYAEWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NOS/c14-8-2-4-11-5-6-12(15-11)10-3-1-7-13-9-10/h1,3,5-7,9,14H,8H2.
What are the key properties of 3-(5-pyridin-3-ylthiophen-2-yl)prop-2-yn-1-ol?
3-(5-pyridin-3-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-3-ylthiophen-2-yl)prop-2-yn-1-ol is sourced from PubChem (CID 612013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).