3-(2-chloro-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione

C13H9ClFN3OS — CID 107529230

IUPAC3-(2-chloro-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOc1ccc2[nH]c(=S)n(-c3cc(F)ccc3Cl)c2n1
InChIInChI=1S/C13H9ClFN3OS/c1-19-11-5-4-9-12(17-11)18(13(20)16-9)10-6-7(15)2-3-8(10)14/h2-6H,1H3,(H,16,20)
InChIKeyROGJVMUNPLSLAH-UHFFFAOYSA-N
MW309.75 g/mol
LogP3.88
Rot. Bonds2

About 3-(2-chloro-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione

3-(2-chloro-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 107529230) has the molecular formula C13H9ClFN3OS and a molecular weight of 309.75 g/mol. Its IUPAC name is 3-(2-chloro-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(2-chloro-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID107529230
Molecular FormulaC13H9ClFN3OS
Molecular Weight309.75 g/mol
Exact Mass309.01
IUPAC Name3-(2-chloro-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOc1ccc2[nH]c(=S)n(-c3cc(F)ccc3Cl)c2n1
InChIInChI=1S/C13H9ClFN3OS/c1-19-11-5-4-9-12(17-11)18(13(20)16-9)10-6-7(15)2-3-8(10)14/h2-6H,1H3,(H,16,20)
InChIKeyROGJVMUNPLSLAH-UHFFFAOYSA-N
XLogP3.88
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloro-5-fluorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 107529228
5-methoxy-3-(2,4,6-trifluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321991
3-(4-bromo-3-chlorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 107613876
3-(2,6-difluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321675
3-(5-bromo-2-methylphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321742
3-(4-bromo-2-methylphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321672
3-(2-ethoxyphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321671
3-(3,4-dimethylphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321690
5-methoxy-3-(4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321666
3-(3-bromo-4-methoxyphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321988
3-[4-(dimethylamino)phenyl]-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321740
3-(2,5-dichlorophenyl)-6-fluoro-1H-benzimidazole-2-thione
CID 43660323

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(2-chloro-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione (CID 107529230) is 3-(2-chloro-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(2-chloro-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(2-chloro-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione is COc1ccc2[nH]c(=S)n(-c3cc(F)ccc3Cl)c2n1.
What is the InChIKey of 3-(2-chloro-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is ROGJVMUNPLSLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3OS/c1-19-11-5-4-9-12(17-11)18(13(20)16-9)10-6-7(15)2-3-8(10)14/h2-6H,1H3,(H,16,20).
What are the key properties of 3-(2-chloro-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione?
3-(2-chloro-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 309.75 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 107529230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).