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

C11H12ClN3 — CID 66152277

IUPAC3-[2-[5-(chloromethyl)imidazol-1-yl]ethyl]pyridine
SMILESClCc1cncn1CCc1cccnc1
InChIInChI=1S/C11H12ClN3/c12-6-11-8-14-9-15(11)5-3-10-2-1-4-13-7-10/h1-2,4,7-9H,3,5-6H2
InChIKeyMKIFIVRHBWQTLG-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.26
Rot. Bonds4

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

3-[2-[5-(chloromethyl)imidazol-1-yl]ethyl]pyridine (PubChem CID 66152277) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 3-[2-[5-(chloromethyl)imidazol-1-yl]ethyl]pyridine.

Molecular Properties

Compound Name3-[2-[5-(chloromethyl)imidazol-1-yl]ethyl]pyridine
PubChem CID66152277
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name3-[2-[5-(chloromethyl)imidazol-1-yl]ethyl]pyridine
SMILESClCc1cncn1CCc1cccnc1
InChIInChI=1S/C11H12ClN3/c12-6-11-8-14-9-15(11)5-3-10-2-1-4-13-7-10/h1-2,4,7-9H,3,5-6H2
InChIKeyMKIFIVRHBWQTLG-UHFFFAOYSA-N
XLogP2.26
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.26
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

5-(chloromethyl)-1-[2-(3-methylphenyl)ethyl]imidazole
CID 66151874
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3-(2-pyridin-3-ylethyl)imidazole-4-carbaldehyde
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5-(chloromethyl)-1-(2-naphthalen-2-ylethyl)imidazole
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5-iodo-3-(2-pyridin-3-ylethyl)pyrimidin-4-one
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N-[(3-propylimidazol-4-yl)methyl]-2-pyridin-3-ylethanamine
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6-bromo-1-(2-pyridin-3-ylethyl)benzimidazole
CID 90412852
3-(2-phenylethyl)pyridine;hydrochloride
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N-methyl-1-[1-(2-pyridin-3-ylethyl)pyrrol-2-yl]methanamine
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3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
3-(2-pyridin-3-ylethyl)benzimidazole-4-carboxylic acid
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3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine
CID 116621555

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(chloromethyl)imidazol-1-yl]ethyl]pyridine?
The IUPAC name of 3-[2-[5-(chloromethyl)imidazol-1-yl]ethyl]pyridine (CID 66152277) is 3-[2-[5-(chloromethyl)imidazol-1-yl]ethyl]pyridine.
What is the SMILES notation for 3-[2-[5-(chloromethyl)imidazol-1-yl]ethyl]pyridine?
The canonical SMILES for 3-[2-[5-(chloromethyl)imidazol-1-yl]ethyl]pyridine is ClCc1cncn1CCc1cccnc1.
What is the InChIKey of 3-[2-[5-(chloromethyl)imidazol-1-yl]ethyl]pyridine?
The InChIKey is MKIFIVRHBWQTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c12-6-11-8-14-9-15(11)5-3-10-2-1-4-13-7-10/h1-2,4,7-9H,3,5-6H2.
What are the key properties of 3-[2-[5-(chloromethyl)imidazol-1-yl]ethyl]pyridine?
3-[2-[5-(chloromethyl)imidazol-1-yl]ethyl]pyridine has a molecular weight of 221.69 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-(chloromethyl)imidazol-1-yl]ethyl]pyridine is sourced from PubChem (CID 66152277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).