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

C12H6Cl2IN3S — CID 107636881

IUPAC6-chloro-3-(4-chloro-2-iodophenyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESS=c1[nH]c2cc(Cl)cnc2n1-c1ccc(Cl)cc1I
InChIInChI=1S/C12H6Cl2IN3S/c13-6-1-2-10(8(15)3-6)18-11-9(17-12(18)19)4-7(14)5-16-11/h1-5H,(H,17,19)
InChIKeyCQXITDOLEWNTOL-UHFFFAOYSA-N
MW422.08 g/mol
LogP4.99
Rot. Bonds1

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

6-chloro-3-(4-chloro-2-iodophenyl)-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 107636881) has the molecular formula C12H6Cl2IN3S and a molecular weight of 422.08 g/mol. Its IUPAC name is 6-chloro-3-(4-chloro-2-iodophenyl)-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name6-chloro-3-(4-chloro-2-iodophenyl)-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID107636881
Molecular FormulaC12H6Cl2IN3S
Molecular Weight422.08 g/mol
Exact Mass420.87
IUPAC Name6-chloro-3-(4-chloro-2-iodophenyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESS=c1[nH]c2cc(Cl)cnc2n1-c1ccc(Cl)cc1I
InChIInChI=1S/C12H6Cl2IN3S/c13-6-1-2-10(8(15)3-6)18-11-9(17-12(18)19)4-7(14)5-16-11/h1-5H,(H,17,19)
InChIKeyCQXITDOLEWNTOL-UHFFFAOYSA-N
XLogP4.99
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.08
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3-(2,4-dichlorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79307042
4-chloro-3-(4-chloro-2-iodophenyl)-1H-benzimidazole-2-thione
CID 107636879
3-(2-chloro-4-iodophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 107607187
4-chloro-2-(6-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile
CID 79301387
3-(4-chloro-2-iodophenyl)-2-sulfanylidene-1H-benzimidazole-5-carbonitrile
CID 107636862
3-(2,5-dichloro-4-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 104727531
3-(2,5-difluorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79294055
3-(2,4-dimethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293547
3-(5-bromo-2-chlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79301383
3-(4-chloro-2-iodophenyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 107637625
4-(4-chloro-2-iodophenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
CID 107636709
6-(4-chloro-2-iodophenyl)-1-methyl-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 107636874

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-chloro-2-iodophenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 6-chloro-3-(4-chloro-2-iodophenyl)-1H-imidazo[4,5-b]pyridine-2-thione (CID 107636881) is 6-chloro-3-(4-chloro-2-iodophenyl)-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 6-chloro-3-(4-chloro-2-iodophenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 6-chloro-3-(4-chloro-2-iodophenyl)-1H-imidazo[4,5-b]pyridine-2-thione is S=c1[nH]c2cc(Cl)cnc2n1-c1ccc(Cl)cc1I.
What is the InChIKey of 6-chloro-3-(4-chloro-2-iodophenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is CQXITDOLEWNTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2IN3S/c13-6-1-2-10(8(15)3-6)18-11-9(17-12(18)19)4-7(14)5-16-11/h1-5H,(H,17,19).
What are the key properties of 6-chloro-3-(4-chloro-2-iodophenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
6-chloro-3-(4-chloro-2-iodophenyl)-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 422.08 g/mol, XLogP of 4.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-chloro-2-iodophenyl)-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 107636881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).