2-(5-bromo-2-pyridinyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine

C13H11BrN4O — CID 79816067

IUPAC2-(5-bromo-2-pyridinyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine
SMILESCCOc1ccc2[nH]c(-c3ccc(Br)cn3)nc2n1
InChIInChI=1S/C13H11BrN4O/c1-2-19-11-6-5-10-13(17-11)18-12(16-10)9-4-3-8(14)7-15-9/h3-7H,2H2,1H3,(H,16,17,18)
InChIKeyXONNGGLOCRSKCO-UHFFFAOYSA-N
MW319.16 g/mol
LogP3.18
Rot. Bonds3

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

2-(5-bromo-2-pyridinyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine (PubChem CID 79816067) has the molecular formula C13H11BrN4O and a molecular weight of 319.16 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine
PubChem CID79816067
Molecular FormulaC13H11BrN4O
Molecular Weight319.16 g/mol
Exact Mass318.01
IUPAC Name2-(5-bromo-2-pyridinyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine
SMILESCCOc1ccc2[nH]c(-c3ccc(Br)cn3)nc2n1
InChIInChI=1S/C13H11BrN4O/c1-2-19-11-6-5-10-13(17-11)18-12(16-10)9-4-3-8(14)7-15-9/h3-7H,2H2,1H3,(H,16,17,18)
InChIKeyXONNGGLOCRSKCO-UHFFFAOYSA-N
XLogP3.18
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine (CID 79816067) is 2-(5-bromo-2-pyridinyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine is CCOc1ccc2[nH]c(-c3ccc(Br)cn3)nc2n1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine?
The InChIKey is XONNGGLOCRSKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O/c1-2-19-11-6-5-10-13(17-11)18-12(16-10)9-4-3-8(14)7-15-9/h3-7H,2H2,1H3,(H,16,17,18).
What are the key properties of 2-(5-bromo-2-pyridinyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine?
2-(5-bromo-2-pyridinyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine has a molecular weight of 319.16 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 79816067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).