7-chloro-2-pyrimidin-2-ylthieno[3,2-b]pyridine

C11H6ClN3S — CID 22143619

IUPAC7-chloro-2-pyrimidin-2-ylthieno[3,2-b]pyridine
SMILESClc1ccnc2cc(-c3ncccn3)sc12
InChIInChI=1S/C11H6ClN3S/c12-7-2-5-13-8-6-9(16-10(7)8)11-14-3-1-4-15-11/h1-6H
InChIKeyMLVBKAYTTXFZRL-UHFFFAOYSA-N
MW247.71 g/mol
LogP3.41
Rot. Bonds1

About 7-chloro-2-pyrimidin-2-ylthieno[3,2-b]pyridine

7-chloro-2-pyrimidin-2-ylthieno[3,2-b]pyridine (PubChem CID 22143619) has the molecular formula C11H6ClN3S and a molecular weight of 247.71 g/mol. Its IUPAC name is 7-chloro-2-pyrimidin-2-ylthieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-chloro-2-pyrimidin-2-ylthieno[3,2-b]pyridine
PubChem CID22143619
Molecular FormulaC11H6ClN3S
Molecular Weight247.71 g/mol
Exact Mass247.00
IUPAC Name7-chloro-2-pyrimidin-2-ylthieno[3,2-b]pyridine
SMILESClc1ccnc2cc(-c3ncccn3)sc12
InChIInChI=1S/C11H6ClN3S/c12-7-2-5-13-8-6-9(16-10(7)8)11-14-3-1-4-15-11/h1-6H
InChIKeyMLVBKAYTTXFZRL-UHFFFAOYSA-N
XLogP3.41
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.71
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-chloro-2-pyrimidin-2-ylthieno[3,2-b]pyridine 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 7-chloro-2-pyrimidin-2-ylthieno[3,2-b]pyridine?
The IUPAC name of 7-chloro-2-pyrimidin-2-ylthieno[3,2-b]pyridine (CID 22143619) is 7-chloro-2-pyrimidin-2-ylthieno[3,2-b]pyridine.
What is the SMILES notation for 7-chloro-2-pyrimidin-2-ylthieno[3,2-b]pyridine?
The canonical SMILES for 7-chloro-2-pyrimidin-2-ylthieno[3,2-b]pyridine is Clc1ccnc2cc(-c3ncccn3)sc12.
What is the InChIKey of 7-chloro-2-pyrimidin-2-ylthieno[3,2-b]pyridine?
The InChIKey is MLVBKAYTTXFZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3S/c12-7-2-5-13-8-6-9(16-10(7)8)11-14-3-1-4-15-11/h1-6H.
What are the key properties of 7-chloro-2-pyrimidin-2-ylthieno[3,2-b]pyridine?
7-chloro-2-pyrimidin-2-ylthieno[3,2-b]pyridine has a molecular weight of 247.71 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-pyrimidin-2-ylthieno[3,2-b]pyridine is sourced from PubChem (CID 22143619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).