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

C13H10IN3 — CID 81136738

IUPAC2-(3-iodophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc2[nH]c(-c3cccc(I)c3)nc2n1
InChIInChI=1S/C13H10IN3/c1-8-5-6-11-13(15-8)17-12(16-11)9-3-2-4-10(14)7-9/h2-7H,1H3,(H,15,16,17)
InChIKeyLMCSCRDIPDNPIE-UHFFFAOYSA-N
MW335.15 g/mol
LogP3.54
Rot. Bonds1

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

2-(3-iodophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine (PubChem CID 81136738) has the molecular formula C13H10IN3 and a molecular weight of 335.15 g/mol. Its IUPAC name is 2-(3-iodophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-iodophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
PubChem CID81136738
Molecular FormulaC13H10IN3
Molecular Weight335.15 g/mol
Exact Mass334.99
IUPAC Name2-(3-iodophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc2[nH]c(-c3cccc(I)c3)nc2n1
InChIInChI=1S/C13H10IN3/c1-8-5-6-11-13(15-8)17-12(16-11)9-3-2-4-10(14)7-9/h2-7H,1H3,(H,15,16,17)
InChIKeyLMCSCRDIPDNPIE-UHFFFAOYSA-N
XLogP3.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid
CID 81137604
2-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81137452
2-(3,5-dibromophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 107972981
2-(3-fluoro-4-methylphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81137094
2-(4-chloro-3-methylphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 113360589
2-(3-bromo-4-fluorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 113340205
2-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81137449
2-(3-iodophenyl)-4-[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole
CID 135398995
5-chloro-2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine
CID 24904041
5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)pyridin-3-ol
CID 81137083
2-methoxy-5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
CID 81137784
5-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine
CID 81137552

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-iodophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine (CID 81136738) is 2-(3-iodophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-iodophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-iodophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine is Cc1ccc2[nH]c(-c3cccc(I)c3)nc2n1.
What is the InChIKey of 2-(3-iodophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is LMCSCRDIPDNPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10IN3/c1-8-5-6-11-13(15-8)17-12(16-11)9-3-2-4-10(14)7-9/h2-7H,1H3,(H,15,16,17).
What are the key properties of 2-(3-iodophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine?
2-(3-iodophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 335.15 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 81136738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).