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

C10H9BrClN3 — CID 104801413

IUPAC3-bromo-5-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine
SMILESClCc1nccn1Cc1cncc(Br)c1
InChIInChI=1S/C10H9BrClN3/c11-9-3-8(5-13-6-9)7-15-2-1-14-10(15)4-12/h1-3,5-6H,4,7H2
InChIKeyHVDNKDAVVKIJLM-UHFFFAOYSA-N
MW286.56 g/mol
LogP2.83
Rot. Bonds3

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

3-bromo-5-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine (PubChem CID 104801413) has the molecular formula C10H9BrClN3 and a molecular weight of 286.56 g/mol. Its IUPAC name is 3-bromo-5-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine
PubChem CID104801413
Molecular FormulaC10H9BrClN3
Molecular Weight286.56 g/mol
Exact Mass284.97
IUPAC Name3-bromo-5-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine
SMILESClCc1nccn1Cc1cncc(Br)c1
InChIInChI=1S/C10H9BrClN3/c11-9-3-8(5-13-6-9)7-15-2-1-14-10(15)4-12/h1-3,5-6H,4,7H2
InChIKeyHVDNKDAVVKIJLM-UHFFFAOYSA-N
XLogP2.83
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-[(2-propylimidazol-1-yl)methyl]pyridine
CID 115769653
2-(chloromethyl)-1-[(3,5-difluorophenyl)methyl]imidazole
CID 105405211
3-bromo-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridine
CID 104809193
5-bromo-2-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine
CID 104801414
2-(chloromethyl)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride
CID 2779195
2-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]imidazole
CID 130657725
1-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)imidazole
CID 62222379
[1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine
CID 102877958
1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561962
1-[(3-bromophenyl)methyl]-2-ethylimidazole
CID 55150590
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(chloromethyl)imidazole
CID 113403434
1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561963

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine?
The IUPAC name of 3-bromo-5-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine (CID 104801413) is 3-bromo-5-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine.
What is the SMILES notation for 3-bromo-5-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine?
The canonical SMILES for 3-bromo-5-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine is ClCc1nccn1Cc1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine?
The InChIKey is HVDNKDAVVKIJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3/c11-9-3-8(5-13-6-9)7-15-2-1-14-10(15)4-12/h1-3,5-6H,4,7H2.
What are the key properties of 3-bromo-5-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine?
3-bromo-5-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine has a molecular weight of 286.56 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine is sourced from PubChem (CID 104801413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).