5,6-dichloro-2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine

C10H3Cl4N3S — CID 114021455

IUPAC5,6-dichloro-2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine
SMILESClc1cc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)c(Cl)s1
InChIInChI=1S/C10H3Cl4N3S/c11-4-2-5-10(16-7(4)13)17-9(15-5)3-1-6(12)18-8(3)14/h1-2H,(H,15,16,17)
InChIKeyQOJRHQNZKMTQDU-UHFFFAOYSA-N
MW339.03 g/mol
LogP5.30
Rot. Bonds1

About 5,6-dichloro-2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine

5,6-dichloro-2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 114021455) has the molecular formula C10H3Cl4N3S and a molecular weight of 339.03 g/mol. Its IUPAC name is 5,6-dichloro-2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5,6-dichloro-2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID114021455
Molecular FormulaC10H3Cl4N3S
Molecular Weight339.03 g/mol
Exact Mass336.88
IUPAC Name5,6-dichloro-2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine
SMILESClc1cc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)c(Cl)s1
InChIInChI=1S/C10H3Cl4N3S/c11-4-2-5-10(16-7(4)13)17-9(15-5)3-1-6(12)18-8(3)14/h1-2H,(H,15,16,17)
InChIKeyQOJRHQNZKMTQDU-UHFFFAOYSA-N
XLogP5.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.03
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5,6-dichloro-2-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine
CID 103977488
5,6-dichloro-2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyridine
CID 103977550
4-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-methyl-1,3-thiazole
CID 113360922
5,6-dichloro-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1H-imidazo[4,5-b]pyridine
CID 103977462
2-(2,5-dichlorothiophen-3-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 107963358
2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 114021462
2-(2,5-dichlorothiophen-3-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid
CID 107963408
5-(2,5-dichlorothiophen-3-yl)-1H-1,2,4-triazol-3-amine
CID 107960252
5-(2,5-dichlorothiophen-3-yl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 107963246
5,6-dichloro-2-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazo[4,5-b]pyridine
CID 103977441
8-(2,5-dichlorothiophen-3-yl)-3-methyl-7H-purine-2,6-dione
CID 107963375
5,6-dichloro-2-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine
CID 113360917

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5,6-dichloro-2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine (CID 114021455) is 5,6-dichloro-2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5,6-dichloro-2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5,6-dichloro-2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine is Clc1cc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)c(Cl)s1.
What is the InChIKey of 5,6-dichloro-2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is QOJRHQNZKMTQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3Cl4N3S/c11-4-2-5-10(16-7(4)13)17-9(15-5)3-1-6(12)18-8(3)14/h1-2H,(H,15,16,17).
What are the key properties of 5,6-dichloro-2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine?
5,6-dichloro-2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 339.03 g/mol, XLogP of 5.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 114021455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).