2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-chloroimidazo[1,2-a]pyridine

C12H11BrClN5 — CID 62393880

IUPAC2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-chloroimidazo[1,2-a]pyridine
SMILESClc1ccc2nc(Cn3cc(CCBr)nn3)cn2c1
InChIInChI=1S/C12H11BrClN5/c13-4-3-10-7-19(17-16-10)8-11-6-18-5-9(14)1-2-12(18)15-11/h1-2,5-7H,3-4,8H2
InChIKeyZOFAXORNNUIFGR-UHFFFAOYSA-N
MW340.61 g/mol
LogP2.56
Rot. Bonds4

About 2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-chloroimidazo[1,2-a]pyridine

2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-chloroimidazo[1,2-a]pyridine (PubChem CID 62393880) has the molecular formula C12H11BrClN5 and a molecular weight of 340.61 g/mol. Its IUPAC name is 2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-chloroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-chloroimidazo[1,2-a]pyridine
PubChem CID62393880
Molecular FormulaC12H11BrClN5
Molecular Weight340.61 g/mol
Exact Mass338.99
IUPAC Name2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-chloroimidazo[1,2-a]pyridine
SMILESClc1ccc2nc(Cn3cc(CCBr)nn3)cn2c1
InChIInChI=1S/C12H11BrClN5/c13-4-3-10-7-19(17-16-10)8-11-6-18-5-9(14)1-2-12(18)15-11/h1-2,5-7H,3-4,8H2
InChIKeyZOFAXORNNUIFGR-UHFFFAOYSA-N
XLogP2.56
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.61
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-chloroimidazo[1,2-a]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine
CID 55071441
4-(2-bromoethyl)-1-[(5-chloro-2-fluorophenyl)methyl]triazole
CID 103049589
4-[[4-(2-bromoethyl)triazol-1-yl]methyl]-2-(4-chlorophenyl)-1,3-oxazole
CID 62396009
4-(2-bromoethyl)-1-[(2-chlorophenyl)methyl]triazole
CID 62393715
2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-methylpyridine
CID 79261155
4-(2-bromoethyl)-1-[(3,4-difluorophenyl)methyl]triazole
CID 82930440
2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-5-(4-chlorophenyl)-1,3-oxazole
CID 62394063
6-chloro-2-[(3-nitro-1,2,4-triazol-1-yl)methyl]imidazo[1,2-a]pyridine
CID 47290059
2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-methoxypyridine
CID 63985931
[1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazol-4-yl]methanol
CID 55066990
4-(2-bromoethyl)-1-[(2,5-dimethylphenyl)methyl]triazole
CID 62395142
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione
CID 131122854

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-chloroimidazo[1,2-a]pyridine?
The IUPAC name of 2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-chloroimidazo[1,2-a]pyridine (CID 62393880) is 2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-chloroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-chloroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-chloroimidazo[1,2-a]pyridine is Clc1ccc2nc(Cn3cc(CCBr)nn3)cn2c1.
What is the InChIKey of 2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-chloroimidazo[1,2-a]pyridine?
The InChIKey is ZOFAXORNNUIFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN5/c13-4-3-10-7-19(17-16-10)8-11-6-18-5-9(14)1-2-12(18)15-11/h1-2,5-7H,3-4,8H2.
What are the key properties of 2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-chloroimidazo[1,2-a]pyridine?
2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-chloroimidazo[1,2-a]pyridine has a molecular weight of 340.61 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-chloroimidazo[1,2-a]pyridine is sourced from PubChem (CID 62393880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).