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

C13H9BrClN3S — CID 79301383

IUPAC3-(5-bromo-2-chlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1cnc2c(c1)[nH]c(=S)n2-c1cc(Br)ccc1Cl
InChIInChI=1S/C13H9BrClN3S/c1-7-4-10-12(16-6-7)18(13(19)17-10)11-5-8(14)2-3-9(11)15/h2-6H,1H3,(H,17,19)
InChIKeyPTVDRAKSORYOFG-UHFFFAOYSA-N
MW354.66 g/mol
LogP4.81
Rot. Bonds1

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

3-(5-bromo-2-chlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79301383) has the molecular formula C13H9BrClN3S and a molecular weight of 354.66 g/mol. Its IUPAC name is 3-(5-bromo-2-chlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(5-bromo-2-chlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79301383
Molecular FormulaC13H9BrClN3S
Molecular Weight354.66 g/mol
Exact Mass352.94
IUPAC Name3-(5-bromo-2-chlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1cnc2c(c1)[nH]c(=S)n2-c1cc(Br)ccc1Cl
InChIInChI=1S/C13H9BrClN3S/c1-7-4-10-12(16-6-7)18(13(19)17-10)11-5-8(14)2-3-9(11)15/h2-6H,1H3,(H,17,19)
InChIKeyPTVDRAKSORYOFG-UHFFFAOYSA-N
XLogP4.81
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.66
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dichloro-4-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 104727531
3-(2-chloro-4-iodophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 107607187
3-(2-bromo-5-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 82757262
3-(3,4-dichlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293181
3-(5-bromo-2-chlorophenyl)-6-methyl-1H-benzimidazole-2-thione
CID 63547662
3-(2,4-dimethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293547
3-(3-bromo-5-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 107584342
3-(2,6-dichloro-4-fluorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 83077983
6-bromo-3-(5-bromo-2-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306026
4-chloro-2-(6-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile
CID 79301387
6-bromo-3-(2,4-dichlorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79307042
3-(2,5-difluorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79294055

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-chlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(5-bromo-2-chlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 79301383) is 3-(5-bromo-2-chlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(5-bromo-2-chlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(5-bromo-2-chlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione is Cc1cnc2c(c1)[nH]c(=S)n2-c1cc(Br)ccc1Cl.
What is the InChIKey of 3-(5-bromo-2-chlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is PTVDRAKSORYOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3S/c1-7-4-10-12(16-6-7)18(13(19)17-10)11-5-8(14)2-3-9(11)15/h2-6H,1H3,(H,17,19).
What are the key properties of 3-(5-bromo-2-chlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-(5-bromo-2-chlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 354.66 g/mol, XLogP of 4.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-chlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79301383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).