2-(2-chloro-4-iodoanilino)thieno[2,3-b]pyridine-3-carbonitrile

C14H7ClIN3S — CID 24739708

IUPAC2-(2-chloro-4-iodoanilino)thieno[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(Nc2ccc(I)cc2Cl)sc2ncccc12
InChIInChI=1S/C14H7ClIN3S/c15-11-6-8(16)3-4-12(11)19-14-10(7-17)9-2-1-5-18-13(9)20-14/h1-6,19H
InChIKeyDRZPHKDVQLBSMG-UHFFFAOYSA-N
MW411.66 g/mol
LogP5.17
Rot. Bonds2

About 2-(2-chloro-4-iodoanilino)thieno[2,3-b]pyridine-3-carbonitrile

2-(2-chloro-4-iodoanilino)thieno[2,3-b]pyridine-3-carbonitrile (PubChem CID 24739708) has the molecular formula C14H7ClIN3S and a molecular weight of 411.66 g/mol. Its IUPAC name is 2-(2-chloro-4-iodoanilino)thieno[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-chloro-4-iodoanilino)thieno[2,3-b]pyridine-3-carbonitrile
PubChem CID24739708
Molecular FormulaC14H7ClIN3S
Molecular Weight411.66 g/mol
Exact Mass410.91
IUPAC Name2-(2-chloro-4-iodoanilino)thieno[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(Nc2ccc(I)cc2Cl)sc2ncccc12
InChIInChI=1S/C14H7ClIN3S/c15-11-6-8(16)3-4-12(11)19-14-10(7-17)9-2-1-5-18-13(9)20-14/h1-6,19H
InChIKeyDRZPHKDVQLBSMG-UHFFFAOYSA-N
XLogP5.17
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.66
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-chloro-4-iodoanilino)thieno[2,3-b]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 2-(2-chloro-4-iodoanilino)thieno[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2-(2-chloro-4-iodoanilino)thieno[2,3-b]pyridine-3-carbonitrile (CID 24739708) is 2-(2-chloro-4-iodoanilino)thieno[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-chloro-4-iodoanilino)thieno[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-chloro-4-iodoanilino)thieno[2,3-b]pyridine-3-carbonitrile is N#Cc1c(Nc2ccc(I)cc2Cl)sc2ncccc12.
What is the InChIKey of 2-(2-chloro-4-iodoanilino)thieno[2,3-b]pyridine-3-carbonitrile?
The InChIKey is DRZPHKDVQLBSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClIN3S/c15-11-6-8(16)3-4-12(11)19-14-10(7-17)9-2-1-5-18-13(9)20-14/h1-6,19H.
What are the key properties of 2-(2-chloro-4-iodoanilino)thieno[2,3-b]pyridine-3-carbonitrile?
2-(2-chloro-4-iodoanilino)thieno[2,3-b]pyridine-3-carbonitrile has a molecular weight of 411.66 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-iodoanilino)thieno[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 24739708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).