6-(2-iodopropan-2-yl)-2-methyl-1H-imidazo[4,5-b]pyridine

C10H12IN3 — CID 155136336

IUPAC6-(2-iodopropan-2-yl)-2-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1nc2ncc(C(C)(C)I)cc2[nH]1
InChIInChI=1S/C10H12IN3/c1-6-13-8-4-7(10(2,3)11)5-12-9(8)14-6/h4-5H,1-3H3,(H,12,13,14)
InChIKeyLPIBEJYESUAXJO-UHFFFAOYSA-N
MW301.13 g/mol
LogP2.94
Rot. Bonds1

About 6-(2-iodopropan-2-yl)-2-methyl-1H-imidazo[4,5-b]pyridine

6-(2-iodopropan-2-yl)-2-methyl-1H-imidazo[4,5-b]pyridine (PubChem CID 155136336) has the molecular formula C10H12IN3 and a molecular weight of 301.13 g/mol. Its IUPAC name is 6-(2-iodopropan-2-yl)-2-methyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(2-iodopropan-2-yl)-2-methyl-1H-imidazo[4,5-b]pyridine
PubChem CID155136336
Molecular FormulaC10H12IN3
Molecular Weight301.13 g/mol
Exact Mass301.01
IUPAC Name6-(2-iodopropan-2-yl)-2-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1nc2ncc(C(C)(C)I)cc2[nH]1
InChIInChI=1S/C10H12IN3/c1-6-13-8-4-7(10(2,3)11)5-12-9(8)14-6/h4-5H,1-3H3,(H,12,13,14)
InChIKeyLPIBEJYESUAXJO-UHFFFAOYSA-N
XLogP2.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-iodopropan-2-yl)-2-methyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-(2-iodopropan-2-yl)-2-methyl-1H-imidazo[4,5-b]pyridine (CID 155136336) is 6-(2-iodopropan-2-yl)-2-methyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-(2-iodopropan-2-yl)-2-methyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-(2-iodopropan-2-yl)-2-methyl-1H-imidazo[4,5-b]pyridine is Cc1nc2ncc(C(C)(C)I)cc2[nH]1.
What is the InChIKey of 6-(2-iodopropan-2-yl)-2-methyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is LPIBEJYESUAXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3/c1-6-13-8-4-7(10(2,3)11)5-12-9(8)14-6/h4-5H,1-3H3,(H,12,13,14).
What are the key properties of 6-(2-iodopropan-2-yl)-2-methyl-1H-imidazo[4,5-b]pyridine?
6-(2-iodopropan-2-yl)-2-methyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 301.13 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-iodopropan-2-yl)-2-methyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 155136336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).