3-thiophen-2-ylpyridine

C9H7NS — CID 595145

IUPAC3-thiophen-2-ylpyridine
SMILESc1cncc(-c2cccs2)c1
InChIInChI=1S/C9H7NS/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1-7H
InChIKeyZHBLIWDUZHFSJW-UHFFFAOYSA-N
MW161.23 g/mol
LogP2.81
Rot. Bonds1

About 3-thiophen-2-ylpyridine

3-thiophen-2-ylpyridine (PubChem CID 595145) has the molecular formula C9H7NS and a molecular weight of 161.23 g/mol. Its IUPAC name is 3-thiophen-2-ylpyridine.

Molecular Properties

Compound Name3-thiophen-2-ylpyridine
PubChem CID595145
Molecular FormulaC9H7NS
Molecular Weight161.23 g/mol
Exact Mass161.03
IUPAC Name3-thiophen-2-ylpyridine
SMILESc1cncc(-c2cccs2)c1
InChIInChI=1S/C9H7NS/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1-7H
InChIKeyZHBLIWDUZHFSJW-UHFFFAOYSA-N
XLogP2.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-ylpyridine?
The IUPAC name of 3-thiophen-2-ylpyridine (CID 595145) is 3-thiophen-2-ylpyridine.
What is the SMILES notation for 3-thiophen-2-ylpyridine?
The canonical SMILES for 3-thiophen-2-ylpyridine is c1cncc(-c2cccs2)c1.
What is the InChIKey of 3-thiophen-2-ylpyridine?
The InChIKey is ZHBLIWDUZHFSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NS/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1-7H.
What are the key properties of 3-thiophen-2-ylpyridine?
3-thiophen-2-ylpyridine has a molecular weight of 161.23 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylpyridine is sourced from PubChem (CID 595145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).