3-(3,4-dichlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione

C13H9Cl2N3S — CID 79293181

IUPAC3-(3,4-dichlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1cnc2c(c1)[nH]c(=S)n2-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl2N3S/c1-7-4-11-12(16-6-7)18(13(19)17-11)8-2-3-9(14)10(15)5-8/h2-6H,1H3,(H,17,19)
InChIKeyWUJLNOONSAMKOJ-UHFFFAOYSA-N
MW310.21 g/mol
LogP4.70
Rot. Bonds1

About 3-(3,4-dichlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione

3-(3,4-dichlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79293181) has the molecular formula C13H9Cl2N3S and a molecular weight of 310.21 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79293181
Molecular FormulaC13H9Cl2N3S
Molecular Weight310.21 g/mol
Exact Mass308.99
IUPAC Name3-(3,4-dichlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1cnc2c(c1)[nH]c(=S)n2-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl2N3S/c1-7-4-11-12(16-6-7)18(13(19)17-11)8-2-3-9(14)10(15)5-8/h2-6H,1H3,(H,17,19)
InChIKeyWUJLNOONSAMKOJ-UHFFFAOYSA-N
XLogP4.70
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.21
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(3,4-dichlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 79293181) is 3-(3,4-dichlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(3,4-dichlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione is Cc1cnc2c(c1)[nH]c(=S)n2-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is WUJLNOONSAMKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3S/c1-7-4-11-12(16-6-7)18(13(19)17-11)8-2-3-9(14)10(15)5-8/h2-6H,1H3,(H,17,19).
What are the key properties of 3-(3,4-dichlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-(3,4-dichlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 310.21 g/mol, XLogP of 4.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79293181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).