2-(chloromethyl)-4-imidazol-1-ylpyridine

C9H8ClN3 — CID 61257830

IUPAC2-(chloromethyl)-4-imidazol-1-ylpyridine
SMILESClCc1cc(-n2ccnc2)ccn1
InChIInChI=1S/C9H8ClN3/c10-6-8-5-9(1-2-12-8)13-4-3-11-7-13/h1-5,7H,6H2
InChIKeyRTEHOMPHHYHBLL-UHFFFAOYSA-N
MW193.64 g/mol
LogP2.01
Rot. Bonds2

About 2-(chloromethyl)-4-imidazol-1-ylpyridine

2-(chloromethyl)-4-imidazol-1-ylpyridine (PubChem CID 61257830) has the molecular formula C9H8ClN3 and a molecular weight of 193.64 g/mol. Its IUPAC name is 2-(chloromethyl)-4-imidazol-1-ylpyridine.

Molecular Properties

Compound Name2-(chloromethyl)-4-imidazol-1-ylpyridine
PubChem CID61257830
Molecular FormulaC9H8ClN3
Molecular Weight193.64 g/mol
Exact Mass193.04
IUPAC Name2-(chloromethyl)-4-imidazol-1-ylpyridine
SMILESClCc1cc(-n2ccnc2)ccn1
InChIInChI=1S/C9H8ClN3/c10-6-8-5-9(1-2-12-8)13-4-3-11-7-13/h1-5,7H,6H2
InChIKeyRTEHOMPHHYHBLL-UHFFFAOYSA-N
XLogP2.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.64
LogP ≤ 52.01
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

2-ethynyl-4-imidazol-1-ylpyridine
CID 130116081
(2-bromo-5-imidazol-1-ylphenyl)methanamine
CID 84707582
1-[2-(chloromethyl)-4-pyridinyl]-4-(4-chlorophenyl)piperazine
CID 61255753
2-(chloromethyl)-N,N-dimethylpyridin-4-amine;dihydrochloride
CID 154776295
4-imidazol-1-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 66521512
3-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
CID 55110075
1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole
CID 102142171
1-naphthalen-2-ylimidazole
CID 23644748
4-[2-(chloromethyl)-4-pyridinyl]-2,6-dimethylmorpholine
CID 61257388
1-[3-(bromomethyl)phenyl]imidazole;hydrobromide
CID 72710327
5-(chloromethyl)-2-imidazol-1-ylpyridine;hydrochloride
CID 50988462
1-[2-(chloromethyl)-4-pyridinyl]-4-propylpiperazine
CID 61255536

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-imidazol-1-ylpyridine?
The IUPAC name of 2-(chloromethyl)-4-imidazol-1-ylpyridine (CID 61257830) is 2-(chloromethyl)-4-imidazol-1-ylpyridine.
What is the SMILES notation for 2-(chloromethyl)-4-imidazol-1-ylpyridine?
The canonical SMILES for 2-(chloromethyl)-4-imidazol-1-ylpyridine is ClCc1cc(-n2ccnc2)ccn1.
What is the InChIKey of 2-(chloromethyl)-4-imidazol-1-ylpyridine?
The InChIKey is RTEHOMPHHYHBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3/c10-6-8-5-9(1-2-12-8)13-4-3-11-7-13/h1-5,7H,6H2.
What are the key properties of 2-(chloromethyl)-4-imidazol-1-ylpyridine?
2-(chloromethyl)-4-imidazol-1-ylpyridine has a molecular weight of 193.64 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-imidazol-1-ylpyridine is sourced from PubChem (CID 61257830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).