6-bromo-2-undecyl-1H-imidazo[4,5-b]pyridine

C17H26BrN3 — CID 65426544

IUPAC6-bromo-2-undecyl-1H-imidazo[4,5-b]pyridine
SMILESCCCCCCCCCCCc1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C17H26BrN3/c1-2-3-4-5-6-7-8-9-10-11-16-20-15-12-14(18)13-19-17(15)21-16/h12-13H,2-11H2,1H3,(H,19,20,21)
InChIKeyFUXMIGQCJORMFR-UHFFFAOYSA-N
MW352.32 g/mol
LogP5.79
Rot. Bonds10

About 6-bromo-2-undecyl-1H-imidazo[4,5-b]pyridine

6-bromo-2-undecyl-1H-imidazo[4,5-b]pyridine (PubChem CID 65426544) has the molecular formula C17H26BrN3 and a molecular weight of 352.32 g/mol. Its IUPAC name is 6-bromo-2-undecyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-undecyl-1H-imidazo[4,5-b]pyridine
PubChem CID65426544
Molecular FormulaC17H26BrN3
Molecular Weight352.32 g/mol
Exact Mass351.13
IUPAC Name6-bromo-2-undecyl-1H-imidazo[4,5-b]pyridine
SMILESCCCCCCCCCCCc1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C17H26BrN3/c1-2-3-4-5-6-7-8-9-10-11-16-20-15-12-14(18)13-19-17(15)21-16/h12-13H,2-11H2,1H3,(H,19,20,21)
InChIKeyFUXMIGQCJORMFR-UHFFFAOYSA-N
XLogP5.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.32
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-undecyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-undecyl-1H-imidazo[4,5-b]pyridine (CID 65426544) is 6-bromo-2-undecyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-undecyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-undecyl-1H-imidazo[4,5-b]pyridine is CCCCCCCCCCCc1nc2ncc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-2-undecyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is FUXMIGQCJORMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN3/c1-2-3-4-5-6-7-8-9-10-11-16-20-15-12-14(18)13-19-17(15)21-16/h12-13H,2-11H2,1H3,(H,19,20,21).
What are the key properties of 6-bromo-2-undecyl-1H-imidazo[4,5-b]pyridine?
6-bromo-2-undecyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 352.32 g/mol, XLogP of 5.79, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-undecyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 65426544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).