5-(chloromethyl)-2-imidazol-1-ylpyridine;hydrochloride

C9H9Cl2N3 — CID 50988462

IUPAC5-(chloromethyl)-2-imidazol-1-ylpyridine;hydrochloride
SMILESCl.ClCc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C9H8ClN3.ClH/c10-5-8-1-2-9(12-6-8)13-4-3-11-7-13;/h1-4,6-7H,5H2;1H
InChIKeyQPHZWNDOHBEKCI-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.43
Rot. Bonds2

About 5-(chloromethyl)-2-imidazol-1-ylpyridine;hydrochloride

5-(chloromethyl)-2-imidazol-1-ylpyridine;hydrochloride (PubChem CID 50988462) has the molecular formula C9H9Cl2N3 and a molecular weight of 230.10 g/mol. Its IUPAC name is 5-(chloromethyl)-2-imidazol-1-ylpyridine;hydrochloride.

Molecular Properties

Compound Name5-(chloromethyl)-2-imidazol-1-ylpyridine;hydrochloride
PubChem CID50988462
Molecular FormulaC9H9Cl2N3
Molecular Weight230.10 g/mol
Exact Mass229.02
IUPAC Name5-(chloromethyl)-2-imidazol-1-ylpyridine;hydrochloride
SMILESCl.ClCc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C9H8ClN3.ClH/c10-5-8-1-2-9(12-6-8)13-4-3-11-7-13;/h1-4,6-7H,5H2;1H
InChIKeyQPHZWNDOHBEKCI-UHFFFAOYSA-N
XLogP2.43
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-2-imidazol-1-ylpyridine;hydrochloride 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

5-(chloromethyl)-2-pyrrol-1-ylpyridine
CID 130153324
N-[(3,4-dichlorophenyl)methyl]-6-imidazol-1-ylpyridin-3-amine
CID 43710546
2-imidazol-1-yl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyridine
CID 124980656
3-chloro-5-(chloromethyl)-2-imidazol-1-ylpyridine
CID 61257448
N-benzyl-6-imidazol-1-ylpyridin-3-amine
CID 43710619
1-[(4-fluorophenyl)methyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 38205199
6-imidazol-1-yl-N-propylpyridin-3-amine
CID 43710767
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-isocyanoacetamide
CID 164823089
6-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine
CID 43710494
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(3-phenylpropyl)urea
CID 36509052
1-(6-imidazol-1-yl-3-pyridinyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 86808154
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea
CID 36507075

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-imidazol-1-ylpyridine;hydrochloride?
The IUPAC name of 5-(chloromethyl)-2-imidazol-1-ylpyridine;hydrochloride (CID 50988462) is 5-(chloromethyl)-2-imidazol-1-ylpyridine;hydrochloride.
What is the SMILES notation for 5-(chloromethyl)-2-imidazol-1-ylpyridine;hydrochloride?
The canonical SMILES for 5-(chloromethyl)-2-imidazol-1-ylpyridine;hydrochloride is Cl.ClCc1ccc(-n2ccnc2)nc1.
What is the InChIKey of 5-(chloromethyl)-2-imidazol-1-ylpyridine;hydrochloride?
The InChIKey is QPHZWNDOHBEKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3.ClH/c10-5-8-1-2-9(12-6-8)13-4-3-11-7-13;/h1-4,6-7H,5H2;1H.
What are the key properties of 5-(chloromethyl)-2-imidazol-1-ylpyridine;hydrochloride?
5-(chloromethyl)-2-imidazol-1-ylpyridine;hydrochloride has a molecular weight of 230.10 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-imidazol-1-ylpyridine;hydrochloride is sourced from PubChem (CID 50988462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).