5-(5-iodothiophen-2-yl)pyridine-3-carbonitrile

C10H5IN2S — CID 59982887

IUPAC5-(5-iodothiophen-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2ccc(I)s2)c1
InChIInChI=1S/C10H5IN2S/c11-10-2-1-9(14-10)8-3-7(4-12)5-13-6-8/h1-3,5-6H
InChIKeyWINPNSAGBMKQDM-UHFFFAOYSA-N
MW312.14 g/mol
LogP3.29
Rot. Bonds1

About 5-(5-iodothiophen-2-yl)pyridine-3-carbonitrile

5-(5-iodothiophen-2-yl)pyridine-3-carbonitrile (PubChem CID 59982887) has the molecular formula C10H5IN2S and a molecular weight of 312.14 g/mol. Its IUPAC name is 5-(5-iodothiophen-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(5-iodothiophen-2-yl)pyridine-3-carbonitrile
PubChem CID59982887
Molecular FormulaC10H5IN2S
Molecular Weight312.14 g/mol
Exact Mass311.92
IUPAC Name5-(5-iodothiophen-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2ccc(I)s2)c1
InChIInChI=1S/C10H5IN2S/c11-10-2-1-9(14-10)8-3-7(4-12)5-13-6-8/h1-3,5-6H
InChIKeyWINPNSAGBMKQDM-UHFFFAOYSA-N
XLogP3.29
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-(5-iodothiophen-2-yl)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-iodothiophen-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-(5-iodothiophen-2-yl)pyridine-3-carbonitrile (CID 59982887) is 5-(5-iodothiophen-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(5-iodothiophen-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(5-iodothiophen-2-yl)pyridine-3-carbonitrile is N#Cc1cncc(-c2ccc(I)s2)c1.
What is the InChIKey of 5-(5-iodothiophen-2-yl)pyridine-3-carbonitrile?
The InChIKey is WINPNSAGBMKQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5IN2S/c11-10-2-1-9(14-10)8-3-7(4-12)5-13-6-8/h1-3,5-6H.
What are the key properties of 5-(5-iodothiophen-2-yl)pyridine-3-carbonitrile?
5-(5-iodothiophen-2-yl)pyridine-3-carbonitrile has a molecular weight of 312.14 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-iodothiophen-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 59982887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).