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

C10H9BrClN3 — CID 104801414

IUPAC5-bromo-2-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine
SMILESClCc1nccn1Cc1ccc(Br)cn1
InChIInChI=1S/C10H9BrClN3/c11-8-1-2-9(14-6-8)7-15-4-3-13-10(15)5-12/h1-4,6H,5,7H2
InChIKeyVGJBWMLNXRBCRZ-UHFFFAOYSA-N
MW286.56 g/mol
LogP2.83
Rot. Bonds3

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

5-bromo-2-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine (PubChem CID 104801414) has the molecular formula C10H9BrClN3 and a molecular weight of 286.56 g/mol. Its IUPAC name is 5-bromo-2-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine
PubChem CID104801414
Molecular FormulaC10H9BrClN3
Molecular Weight286.56 g/mol
Exact Mass284.97
IUPAC Name5-bromo-2-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine
SMILESClCc1nccn1Cc1ccc(Br)cn1
InChIInChI=1S/C10H9BrClN3/c11-8-1-2-9(14-6-8)7-15-4-3-13-10(15)5-12/h1-4,6H,5,7H2
InChIKeyVGJBWMLNXRBCRZ-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

N-[[1-[(5-bromo-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 113454806
1-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)imidazole
CID 62222379
3-bromo-5-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine
CID 104801413
2-(chloromethyl)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride
CID 2779195
3-[(5-bromo-2-pyridinyl)methyl]-5,6-dichloropyrimidin-4-one
CID 114583198
2-(chloromethyl)-1-[(2,6-dichlorophenyl)methyl]imidazole
CID 62223786
5-bromo-2-[[4-(chloromethyl)triazol-1-yl]methyl]pyridine
CID 104810331
1-[(5-bromo-2-pyridinyl)methyl]quinolin-4-one
CID 104809188
1-[(5-bromo-2-pyridinyl)methyl]-4-chloroindole
CID 116623535
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one
CID 104809229
2-(chloromethyl)-1-[(3,5-difluorophenyl)methyl]imidazole
CID 105405211
1-[(5-bromo-2-pyridinyl)methyl]pyrrole-2-carbothioamide
CID 114653975

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine?
The IUPAC name of 5-bromo-2-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine (CID 104801414) is 5-bromo-2-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine.
What is the SMILES notation for 5-bromo-2-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine?
The canonical SMILES for 5-bromo-2-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine is ClCc1nccn1Cc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine?
The InChIKey is VGJBWMLNXRBCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3/c11-8-1-2-9(14-6-8)7-15-4-3-13-10(15)5-12/h1-4,6H,5,7H2.
What are the key properties of 5-bromo-2-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine?
5-bromo-2-[[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 5-bromo-2-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine is sourced from PubChem (CID 104801414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).