4-bromo-3-imidazol-1-ylpyridine

C8H6BrN3 — CID 84688960

IUPAC4-bromo-3-imidazol-1-ylpyridine
SMILESBrc1ccncc1-n1ccnc1
InChIInChI=1S/C8H6BrN3/c9-7-1-2-10-5-8(7)12-4-3-11-6-12/h1-6H
InChIKeyUDDHECZMDFYZJE-UHFFFAOYSA-N
MW224.06 g/mol
LogP2.03
Rot. Bonds1

About 4-bromo-3-imidazol-1-ylpyridine

4-bromo-3-imidazol-1-ylpyridine (PubChem CID 84688960) has the molecular formula C8H6BrN3 and a molecular weight of 224.06 g/mol. Its IUPAC name is 4-bromo-3-imidazol-1-ylpyridine.

Molecular Properties

Compound Name4-bromo-3-imidazol-1-ylpyridine
PubChem CID84688960
Molecular FormulaC8H6BrN3
Molecular Weight224.06 g/mol
Exact Mass222.97
IUPAC Name4-bromo-3-imidazol-1-ylpyridine
SMILESBrc1ccncc1-n1ccnc1
InChIInChI=1S/C8H6BrN3/c9-7-1-2-10-5-8(7)12-4-3-11-6-12/h1-6H
InChIKeyUDDHECZMDFYZJE-UHFFFAOYSA-N
XLogP2.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-imidazol-1-ylpyridine?
The IUPAC name of 4-bromo-3-imidazol-1-ylpyridine (CID 84688960) is 4-bromo-3-imidazol-1-ylpyridine.
What is the SMILES notation for 4-bromo-3-imidazol-1-ylpyridine?
The canonical SMILES for 4-bromo-3-imidazol-1-ylpyridine is Brc1ccncc1-n1ccnc1.
What is the InChIKey of 4-bromo-3-imidazol-1-ylpyridine?
The InChIKey is UDDHECZMDFYZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3/c9-7-1-2-10-5-8(7)12-4-3-11-6-12/h1-6H.
What are the key properties of 4-bromo-3-imidazol-1-ylpyridine?
4-bromo-3-imidazol-1-ylpyridine has a molecular weight of 224.06 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-imidazol-1-ylpyridine is sourced from PubChem (CID 84688960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).