6-bromo-2-(diethoxymethyl)-1H-imidazo[4,5-b]pyridine

C11H14BrN3O2 — CID 63772338

IUPAC6-bromo-2-(diethoxymethyl)-1H-imidazo[4,5-b]pyridine
SMILESCCOC(OCC)c1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C11H14BrN3O2/c1-3-16-11(17-4-2)10-14-8-5-7(12)6-13-9(8)15-10/h5-6,11H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyJFAQXNSLLVPOMU-UHFFFAOYSA-N
MW300.16 g/mol
LogP2.79
Rot. Bonds5

About 6-bromo-2-(diethoxymethyl)-1H-imidazo[4,5-b]pyridine

6-bromo-2-(diethoxymethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 63772338) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 6-bromo-2-(diethoxymethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(diethoxymethyl)-1H-imidazo[4,5-b]pyridine
PubChem CID63772338
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name6-bromo-2-(diethoxymethyl)-1H-imidazo[4,5-b]pyridine
SMILESCCOC(OCC)c1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C11H14BrN3O2/c1-3-16-11(17-4-2)10-14-8-5-7(12)6-13-9(8)15-10/h5-6,11H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyJFAQXNSLLVPOMU-UHFFFAOYSA-N
XLogP2.79
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(diethoxymethyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(diethoxymethyl)-1H-imidazo[4,5-b]pyridine (CID 63772338) is 6-bromo-2-(diethoxymethyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(diethoxymethyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(diethoxymethyl)-1H-imidazo[4,5-b]pyridine is CCOC(OCC)c1nc2ncc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-2-(diethoxymethyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is JFAQXNSLLVPOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-3-16-11(17-4-2)10-14-8-5-7(12)6-13-9(8)15-10/h5-6,11H,3-4H2,1-2H3,(H,13,14,15).
What are the key properties of 6-bromo-2-(diethoxymethyl)-1H-imidazo[4,5-b]pyridine?
6-bromo-2-(diethoxymethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 300.16 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(diethoxymethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 63772338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).