3-bromo-5-[4-(chloromethyl)-5-methyl-1H-imidazol-2-yl]pyridine

C10H9BrClN3 — CID 82369305

IUPAC3-bromo-5-[4-(chloromethyl)-5-methyl-1H-imidazol-2-yl]pyridine
SMILESCc1[nH]c(-c2cncc(Br)c2)nc1CCl
InChIInChI=1S/C10H9BrClN3/c1-6-9(3-12)15-10(14-6)7-2-8(11)5-13-4-7/h2,4-5H,3H2,1H3,(H,14,15)
InChIKeyRBXHNHGQXUUIAA-UHFFFAOYSA-N
MW286.56 g/mol
LogP3.28
Rot. Bonds2

About 3-bromo-5-[4-(chloromethyl)-5-methyl-1H-imidazol-2-yl]pyridine

3-bromo-5-[4-(chloromethyl)-5-methyl-1H-imidazol-2-yl]pyridine (PubChem CID 82369305) has the molecular formula C10H9BrClN3 and a molecular weight of 286.56 g/mol. Its IUPAC name is 3-bromo-5-[4-(chloromethyl)-5-methyl-1H-imidazol-2-yl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[4-(chloromethyl)-5-methyl-1H-imidazol-2-yl]pyridine
PubChem CID82369305
Molecular FormulaC10H9BrClN3
Molecular Weight286.56 g/mol
Exact Mass284.97
IUPAC Name3-bromo-5-[4-(chloromethyl)-5-methyl-1H-imidazol-2-yl]pyridine
SMILESCc1[nH]c(-c2cncc(Br)c2)nc1CCl
InChIInChI=1S/C10H9BrClN3/c1-6-9(3-12)15-10(14-6)7-2-8(11)5-13-4-7/h2,4-5H,3H2,1H3,(H,14,15)
InChIKeyRBXHNHGQXUUIAA-UHFFFAOYSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-5-[4-(chloromethyl)-5-methyl-1H-imidazol-2-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[4-(chloromethyl)-5-methyl-1H-imidazol-2-yl]pyridine?
The IUPAC name of 3-bromo-5-[4-(chloromethyl)-5-methyl-1H-imidazol-2-yl]pyridine (CID 82369305) is 3-bromo-5-[4-(chloromethyl)-5-methyl-1H-imidazol-2-yl]pyridine.
What is the SMILES notation for 3-bromo-5-[4-(chloromethyl)-5-methyl-1H-imidazol-2-yl]pyridine?
The canonical SMILES for 3-bromo-5-[4-(chloromethyl)-5-methyl-1H-imidazol-2-yl]pyridine is Cc1[nH]c(-c2cncc(Br)c2)nc1CCl.
What is the InChIKey of 3-bromo-5-[4-(chloromethyl)-5-methyl-1H-imidazol-2-yl]pyridine?
The InChIKey is RBXHNHGQXUUIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3/c1-6-9(3-12)15-10(14-6)7-2-8(11)5-13-4-7/h2,4-5H,3H2,1H3,(H,14,15).
What are the key properties of 3-bromo-5-[4-(chloromethyl)-5-methyl-1H-imidazol-2-yl]pyridine?
3-bromo-5-[4-(chloromethyl)-5-methyl-1H-imidazol-2-yl]pyridine has a molecular weight of 286.56 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[4-(chloromethyl)-5-methyl-1H-imidazol-2-yl]pyridine is sourced from PubChem (CID 82369305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).