2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-fluoroaniline

C14H11ClFN3S — CID 79148325

IUPAC2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-fluoroaniline
SMILESNc1ccc(F)cc1SCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C14H11ClFN3S/c15-9-1-4-14-18-11(7-19(14)6-9)8-20-13-5-10(16)2-3-12(13)17/h1-7H,8,17H2
InChIKeyXXZAAQXLKRGURG-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.00
Rot. Bonds3

About 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-fluoroaniline

2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-fluoroaniline (PubChem CID 79148325) has the molecular formula C14H11ClFN3S and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-fluoroaniline
PubChem CID79148325
Molecular FormulaC14H11ClFN3S
Molecular Weight307.78 g/mol
Exact Mass307.03
IUPAC Name2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-fluoroaniline
SMILESNc1ccc(F)cc1SCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C14H11ClFN3S/c15-9-1-4-14-18-11(7-19(14)6-9)8-20-13-5-10(16)2-3-12(13)17/h1-7H,8,17H2
InChIKeyXXZAAQXLKRGURG-UHFFFAOYSA-N
XLogP4.00
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-fluoroaniline 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-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-fluoroaniline?
The IUPAC name of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-fluoroaniline (CID 79148325) is 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-fluoroaniline.
What is the SMILES notation for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-fluoroaniline?
The canonical SMILES for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-fluoroaniline is Nc1ccc(F)cc1SCc1cn2cc(Cl)ccc2n1.
What is the InChIKey of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-fluoroaniline?
The InChIKey is XXZAAQXLKRGURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3S/c15-9-1-4-14-18-11(7-19(14)6-9)8-20-13-5-10(16)2-3-12(13)17/h1-7H,8,17H2.
What are the key properties of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-fluoroaniline?
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-fluoroaniline has a molecular weight of 307.78 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-fluoroaniline is sourced from PubChem (CID 79148325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).