2-bromo-3-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-fluoropyridine

C10H9Br2FN4 — CID 165487157

IUPAC2-bromo-3-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-fluoropyridine
SMILESFc1ccc(Cn2cc(CCBr)nn2)c(Br)n1
InChIInChI=1S/C10H9Br2FN4/c11-4-3-8-6-17(16-15-8)5-7-1-2-9(13)14-10(7)12/h1-2,6H,3-5H2
InChIKeyYFIMBHPZKALXLW-UHFFFAOYSA-N
MW364.02 g/mol
LogP2.56
Rot. Bonds4

About 2-bromo-3-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-fluoropyridine

2-bromo-3-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-fluoropyridine (PubChem CID 165487157) has the molecular formula C10H9Br2FN4 and a molecular weight of 364.02 g/mol. Its IUPAC name is 2-bromo-3-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-fluoropyridine.

Molecular Properties

Compound Name2-bromo-3-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-fluoropyridine
PubChem CID165487157
Molecular FormulaC10H9Br2FN4
Molecular Weight364.02 g/mol
Exact Mass361.92
IUPAC Name2-bromo-3-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-fluoropyridine
SMILESFc1ccc(Cn2cc(CCBr)nn2)c(Br)n1
InChIInChI=1S/C10H9Br2FN4/c11-4-3-8-6-17(16-15-8)5-7-1-2-9(13)14-10(7)12/h1-2,6H,3-5H2
InChIKeyYFIMBHPZKALXLW-UHFFFAOYSA-N
XLogP2.56
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.02
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-bromo-3-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-fluoropyridine 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

4-(2-bromoethyl)-1-[(4-bromo-2-fluorophenyl)methyl]triazole
CID 62394795
4-(2-bromoethyl)-1-[(5-chloro-2-fluorophenyl)methyl]triazole
CID 103049589
4-(2-bromoethyl)-1-[(2-methylphenyl)methyl]triazole
CID 62394253
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
4-(2-bromoethyl)-1-[(2,5-dimethylphenyl)methyl]triazole
CID 62395142
4-(2-bromoethyl)-1-[(5-ethylthiophen-2-yl)methyl]triazole
CID 62393343
2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-methoxypyridine
CID 63985931
3-[1-[(4-bromo-2-fluorophenyl)methyl]triazol-4-yl]propan-1-amine
CID 106220841
4-(2-bromoethyl)-1-[(2-methoxy-5-methylphenyl)methyl]triazole
CID 62396004
4-(2-bromoethyl)-1-(3-fluoropropyl)triazole
CID 81113923

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-fluoropyridine?
The IUPAC name of 2-bromo-3-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-fluoropyridine (CID 165487157) is 2-bromo-3-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-fluoropyridine.
What is the SMILES notation for 2-bromo-3-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-fluoropyridine?
The canonical SMILES for 2-bromo-3-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-fluoropyridine is Fc1ccc(Cn2cc(CCBr)nn2)c(Br)n1.
What is the InChIKey of 2-bromo-3-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-fluoropyridine?
The InChIKey is YFIMBHPZKALXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2FN4/c11-4-3-8-6-17(16-15-8)5-7-1-2-9(13)14-10(7)12/h1-2,6H,3-5H2.
What are the key properties of 2-bromo-3-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-fluoropyridine?
2-bromo-3-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-fluoropyridine has a molecular weight of 364.02 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-fluoropyridine is sourced from PubChem (CID 165487157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).