2-pyridin-2-ylthiophen-3-ol

C9H7NOS — CID 135778332

IUPAC2-pyridin-2-ylthiophen-3-ol
SMILESOc1ccsc1-c1ccccn1
InChIInChI=1S/C9H7NOS/c11-8-4-6-12-9(8)7-3-1-2-5-10-7/h1-6,11H
InChIKeyUDFFPGUQCMLTDU-UHFFFAOYSA-N
MW177.23 g/mol
LogP2.52
Rot. Bonds1

About 2-pyridin-2-ylthiophen-3-ol

2-pyridin-2-ylthiophen-3-ol (PubChem CID 135778332) has the molecular formula C9H7NOS and a molecular weight of 177.23 g/mol. Its IUPAC name is 2-pyridin-2-ylthiophen-3-ol.

Molecular Properties

Compound Name2-pyridin-2-ylthiophen-3-ol
PubChem CID135778332
Molecular FormulaC9H7NOS
Molecular Weight177.23 g/mol
Exact Mass177.02
IUPAC Name2-pyridin-2-ylthiophen-3-ol
SMILESOc1ccsc1-c1ccccn1
InChIInChI=1S/C9H7NOS/c11-8-4-6-12-9(8)7-3-1-2-5-10-7/h1-6,11H
InChIKeyUDFFPGUQCMLTDU-UHFFFAOYSA-N
XLogP2.52
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylthiophen-3-ol?
The IUPAC name of 2-pyridin-2-ylthiophen-3-ol (CID 135778332) is 2-pyridin-2-ylthiophen-3-ol.
What is the SMILES notation for 2-pyridin-2-ylthiophen-3-ol?
The canonical SMILES for 2-pyridin-2-ylthiophen-3-ol is Oc1ccsc1-c1ccccn1.
What is the InChIKey of 2-pyridin-2-ylthiophen-3-ol?
The InChIKey is UDFFPGUQCMLTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NOS/c11-8-4-6-12-9(8)7-3-1-2-5-10-7/h1-6,11H.
What are the key properties of 2-pyridin-2-ylthiophen-3-ol?
2-pyridin-2-ylthiophen-3-ol has a molecular weight of 177.23 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylthiophen-3-ol is sourced from PubChem (CID 135778332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).