6-bromo-2-(2-chloroethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine

C13H15BrClN3S — CID 80585975

IUPAC6-bromo-2-(2-chloroethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESClCCc1nc2cc(Br)cnc2n1CC1CCCS1
InChIInChI=1S/C13H15BrClN3S/c14-9-6-11-13(16-7-9)18(12(17-11)3-4-15)8-10-2-1-5-19-10/h6-7,10H,1-5,8H2
InChIKeyYVUWIZZHMWRNLD-UHFFFAOYSA-N
MW360.71 g/mol
LogP3.87
Rot. Bonds4

About 6-bromo-2-(2-chloroethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine

6-bromo-2-(2-chloroethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 80585975) has the molecular formula C13H15BrClN3S and a molecular weight of 360.71 g/mol. Its IUPAC name is 6-bromo-2-(2-chloroethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(2-chloroethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID80585975
Molecular FormulaC13H15BrClN3S
Molecular Weight360.71 g/mol
Exact Mass358.99
IUPAC Name6-bromo-2-(2-chloroethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESClCCc1nc2cc(Br)cnc2n1CC1CCCS1
InChIInChI=1S/C13H15BrClN3S/c14-9-6-11-13(16-7-9)18(12(17-11)3-4-15)8-10-2-1-5-19-10/h6-7,10H,1-5,8H2
InChIKeyYVUWIZZHMWRNLD-UHFFFAOYSA-N
XLogP3.87
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.71
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-bromo-2-(2-chloroethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-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

Related Compounds

6-bromo-2-(2-chloroethyl)-3-(thian-2-ylmethyl)imidazo[4,5-b]pyridine
CID 80612195
6-bromo-2-(chloromethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 80585928
6-bromo-2-(2-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine
CID 79302391
6-bromo-2-(2-chloroethyl)-3-cyclobutylimidazo[4,5-b]pyridine
CID 79302688
6-bromo-2-(2-chloroethyl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 79302094
2-(2-chloroethyl)-5-methoxy-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 115323175
2-(2-chloroethyl)-1-(thiolan-2-ylmethyl)imidazo[4,5-c]pyridine
CID 80585713
2-(2-chloroethyl)-3-(cyclobutylmethyl)-6-methylimidazo[4,5-b]pyridine
CID 79301428
6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine
CID 102906922
4-[2-[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-1,3-thiazole
CID 79302623
6-bromo-2-(2-chloroethyl)-3-(3-ethoxypropyl)imidazo[4,5-b]pyridine
CID 79302095
6-bromo-2-(2-chloroethyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 79302179

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chloroethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(2-chloroethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine (CID 80585975) is 6-bromo-2-(2-chloroethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(2-chloroethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(2-chloroethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine is ClCCc1nc2cc(Br)cnc2n1CC1CCCS1.
What is the InChIKey of 6-bromo-2-(2-chloroethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is YVUWIZZHMWRNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3S/c14-9-6-11-13(16-7-9)18(12(17-11)3-4-15)8-10-2-1-5-19-10/h6-7,10H,1-5,8H2.
What are the key properties of 6-bromo-2-(2-chloroethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine?
6-bromo-2-(2-chloroethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 360.71 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chloroethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 80585975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).