2-bromo-5-(imidazol-1-ylmethyl)pyridine

C9H8BrN3 — CID 70680985

IUPAC2-bromo-5-(imidazol-1-ylmethyl)pyridine
SMILESBrc1ccc(Cn2ccnc2)cn1
InChIInChI=1S/C9H8BrN3/c10-9-2-1-8(5-12-9)6-13-4-3-11-7-13/h1-5,7H,6H2
InChIKeyRMVSKVIWDJAADC-UHFFFAOYSA-N
MW238.09 g/mol
LogP2.09
Rot. Bonds2

About 2-bromo-5-(imidazol-1-ylmethyl)pyridine

2-bromo-5-(imidazol-1-ylmethyl)pyridine (PubChem CID 70680985) has the molecular formula C9H8BrN3 and a molecular weight of 238.09 g/mol. Its IUPAC name is 2-bromo-5-(imidazol-1-ylmethyl)pyridine.

Molecular Properties

Compound Name2-bromo-5-(imidazol-1-ylmethyl)pyridine
PubChem CID70680985
Molecular FormulaC9H8BrN3
Molecular Weight238.09 g/mol
Exact Mass236.99
IUPAC Name2-bromo-5-(imidazol-1-ylmethyl)pyridine
SMILESBrc1ccc(Cn2ccnc2)cn1
InChIInChI=1S/C9H8BrN3/c10-9-2-1-8(5-12-9)6-13-4-3-11-7-13/h1-5,7H,6H2
InChIKeyRMVSKVIWDJAADC-UHFFFAOYSA-N
XLogP2.09
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.09
LogP ≤ 52.09
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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(imidazol-1-ylmethyl)pyridine?
The IUPAC name of 2-bromo-5-(imidazol-1-ylmethyl)pyridine (CID 70680985) is 2-bromo-5-(imidazol-1-ylmethyl)pyridine.
What is the SMILES notation for 2-bromo-5-(imidazol-1-ylmethyl)pyridine?
The canonical SMILES for 2-bromo-5-(imidazol-1-ylmethyl)pyridine is Brc1ccc(Cn2ccnc2)cn1.
What is the InChIKey of 2-bromo-5-(imidazol-1-ylmethyl)pyridine?
The InChIKey is RMVSKVIWDJAADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3/c10-9-2-1-8(5-12-9)6-13-4-3-11-7-13/h1-5,7H,6H2.
What are the key properties of 2-bromo-5-(imidazol-1-ylmethyl)pyridine?
2-bromo-5-(imidazol-1-ylmethyl)pyridine has a molecular weight of 238.09 g/mol, XLogP of 2.09, 2 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-ylmethyl)pyridine is sourced from PubChem (CID 70680985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).