2-bromo-5-imidazol-1-ylpyridine

C8H6BrN3 — CID 66521352

IUPAC2-bromo-5-imidazol-1-ylpyridine
SMILESBrc1ccc(-n2ccnc2)cn1
InChIInChI=1S/C8H6BrN3/c9-8-2-1-7(5-11-8)12-4-3-10-6-12/h1-6H
InChIKeyGAPFSTUPCXMZFA-UHFFFAOYSA-N
MW224.06 g/mol
LogP2.03
Rot. Bonds1

About 2-bromo-5-imidazol-1-ylpyridine

2-bromo-5-imidazol-1-ylpyridine (PubChem CID 66521352) has the molecular formula C8H6BrN3 and a molecular weight of 224.06 g/mol. Its IUPAC name is 2-bromo-5-imidazol-1-ylpyridine.

Molecular Properties

Compound Name2-bromo-5-imidazol-1-ylpyridine
PubChem CID66521352
Molecular FormulaC8H6BrN3
Molecular Weight224.06 g/mol
Exact Mass222.97
IUPAC Name2-bromo-5-imidazol-1-ylpyridine
SMILESBrc1ccc(-n2ccnc2)cn1
InChIInChI=1S/C8H6BrN3/c9-8-2-1-7(5-11-8)12-4-3-10-6-12/h1-6H
InChIKeyGAPFSTUPCXMZFA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethane;5-imidazol-1-yl-N-methylpyridin-2-amine
CID 169237763
5-imidazol-1-yl-2-prop-1-en-2-ylpyridine
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N'-(5-imidazol-1-yl-2-pyridinyl)methanimidamide
CID 169237768
3-imidazol-1-ylpyridine;dihydrochloride
CID 91642740
(4-imidazol-1-ylphenyl)arsane
CID 173134933
2-bromo-5-imidazol-1-ylphenol
CID 84701020
4-(5-imidazol-1-yl-2-pyridinyl)benzonitrile
CID 118978613
4-imidazol-1-ylaniline;trihydrochloride
CID 68693958
1-(4-fluorophenyl)imidazole;hydrobromide
CID 175571353
1-[4-[1,2,2-tris(4-imidazol-1-ylphenyl)ethyl]phenyl]imidazole
CID 162718283
1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole
CID 102142171
N-ethyl-1-(5-imidazol-1-yl-2-pyridinyl)ethanamine
CID 83127254

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-imidazol-1-ylpyridine?
The IUPAC name of 2-bromo-5-imidazol-1-ylpyridine (CID 66521352) is 2-bromo-5-imidazol-1-ylpyridine.
What is the SMILES notation for 2-bromo-5-imidazol-1-ylpyridine?
The canonical SMILES for 2-bromo-5-imidazol-1-ylpyridine is Brc1ccc(-n2ccnc2)cn1.
What is the InChIKey of 2-bromo-5-imidazol-1-ylpyridine?
The InChIKey is GAPFSTUPCXMZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3/c9-8-2-1-7(5-11-8)12-4-3-10-6-12/h1-6H.
What are the key properties of 2-bromo-5-imidazol-1-ylpyridine?
2-bromo-5-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 2-bromo-5-imidazol-1-ylpyridine is sourced from PubChem (CID 66521352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).