6-bromo-3-ethylimidazo[4,5-b]pyridine

C8H8BrN3 — CID 23298303

IUPAC6-bromo-3-ethylimidazo[4,5-b]pyridine
SMILESCCn1cnc2cc(Br)cnc21
InChIInChI=1S/C8H8BrN3/c1-2-12-5-11-7-3-6(9)4-10-8(7)12/h3-5H,2H2,1H3
InChIKeyQHFMKLXEVDGSFU-UHFFFAOYSA-N
MW226.08 g/mol
LogP2.21
Rot. Bonds1

About 6-bromo-3-ethylimidazo[4,5-b]pyridine

6-bromo-3-ethylimidazo[4,5-b]pyridine (PubChem CID 23298303) has the molecular formula C8H8BrN3 and a molecular weight of 226.08 g/mol. Its IUPAC name is 6-bromo-3-ethylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-3-ethylimidazo[4,5-b]pyridine
PubChem CID23298303
Molecular FormulaC8H8BrN3
Molecular Weight226.08 g/mol
Exact Mass224.99
IUPAC Name6-bromo-3-ethylimidazo[4,5-b]pyridine
SMILESCCn1cnc2cc(Br)cnc21
InChIInChI=1S/C8H8BrN3/c1-2-12-5-11-7-3-6(9)4-10-8(7)12/h3-5H,2H2,1H3
InChIKeyQHFMKLXEVDGSFU-UHFFFAOYSA-N
XLogP2.21
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.08
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-ethylimidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-3-ethylimidazo[4,5-b]pyridine (CID 23298303) is 6-bromo-3-ethylimidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-3-ethylimidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-3-ethylimidazo[4,5-b]pyridine is CCn1cnc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-3-ethylimidazo[4,5-b]pyridine?
The InChIKey is QHFMKLXEVDGSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3/c1-2-12-5-11-7-3-6(9)4-10-8(7)12/h3-5H,2H2,1H3.
What are the key properties of 6-bromo-3-ethylimidazo[4,5-b]pyridine?
6-bromo-3-ethylimidazo[4,5-b]pyridine has a molecular weight of 226.08 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethylimidazo[4,5-b]pyridine is sourced from PubChem (CID 23298303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).