4-thiophen-3-ylpyridine

C9H7NS — CID 819002

IUPAC4-thiophen-3-ylpyridine
SMILESc1cc(-c2ccsc2)ccn1
InChIInChI=1S/C9H7NS/c1-4-10-5-2-8(1)9-3-6-11-7-9/h1-7H
InChIKeyHVPPTNADZDAEQR-UHFFFAOYSA-N
MW161.23 g/mol
LogP2.81
Rot. Bonds1

About 4-thiophen-3-ylpyridine

4-thiophen-3-ylpyridine (PubChem CID 819002) has the molecular formula C9H7NS and a molecular weight of 161.23 g/mol. Its IUPAC name is 4-thiophen-3-ylpyridine.

Molecular Properties

Compound Name4-thiophen-3-ylpyridine
PubChem CID819002
Molecular FormulaC9H7NS
Molecular Weight161.23 g/mol
Exact Mass161.03
IUPAC Name4-thiophen-3-ylpyridine
SMILESc1cc(-c2ccsc2)ccn1
InChIInChI=1S/C9H7NS/c1-4-10-5-2-8(1)9-3-6-11-7-9/h1-7H
InChIKeyHVPPTNADZDAEQR-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 4-thiophen-3-ylpyridine?
The IUPAC name of 4-thiophen-3-ylpyridine (CID 819002) is 4-thiophen-3-ylpyridine.
What is the SMILES notation for 4-thiophen-3-ylpyridine?
The canonical SMILES for 4-thiophen-3-ylpyridine is c1cc(-c2ccsc2)ccn1.
What is the InChIKey of 4-thiophen-3-ylpyridine?
The InChIKey is HVPPTNADZDAEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NS/c1-4-10-5-2-8(1)9-3-6-11-7-9/h1-7H.
What are the key properties of 4-thiophen-3-ylpyridine?
4-thiophen-3-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 4-thiophen-3-ylpyridine is sourced from PubChem (CID 819002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).