2,3,5-trichloro-6-imidazol-1-ylpyridine

C8H4Cl3N3 — CID 102752140

IUPAC2,3,5-trichloro-6-imidazol-1-ylpyridine
SMILESClc1cc(Cl)c(-n2ccnc2)nc1Cl
InChIInChI=1S/C8H4Cl3N3/c9-5-3-6(10)8(13-7(5)11)14-2-1-12-4-14/h1-4H
InChIKeyIVJYKYSDCOJHNH-UHFFFAOYSA-N
MW248.50 g/mol
LogP3.23
Rot. Bonds1

About 2,3,5-trichloro-6-imidazol-1-ylpyridine

2,3,5-trichloro-6-imidazol-1-ylpyridine (PubChem CID 102752140) has the molecular formula C8H4Cl3N3 and a molecular weight of 248.50 g/mol. Its IUPAC name is 2,3,5-trichloro-6-imidazol-1-ylpyridine.

Molecular Properties

Compound Name2,3,5-trichloro-6-imidazol-1-ylpyridine
PubChem CID102752140
Molecular FormulaC8H4Cl3N3
Molecular Weight248.50 g/mol
Exact Mass246.95
IUPAC Name2,3,5-trichloro-6-imidazol-1-ylpyridine
SMILESClc1cc(Cl)c(-n2ccnc2)nc1Cl
InChIInChI=1S/C8H4Cl3N3/c9-5-3-6(10)8(13-7(5)11)14-2-1-12-4-14/h1-4H
InChIKeyIVJYKYSDCOJHNH-UHFFFAOYSA-N
XLogP3.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.50
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-6-imidazol-1-ylpyridine?
The IUPAC name of 2,3,5-trichloro-6-imidazol-1-ylpyridine (CID 102752140) is 2,3,5-trichloro-6-imidazol-1-ylpyridine.
What is the SMILES notation for 2,3,5-trichloro-6-imidazol-1-ylpyridine?
The canonical SMILES for 2,3,5-trichloro-6-imidazol-1-ylpyridine is Clc1cc(Cl)c(-n2ccnc2)nc1Cl.
What is the InChIKey of 2,3,5-trichloro-6-imidazol-1-ylpyridine?
The InChIKey is IVJYKYSDCOJHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl3N3/c9-5-3-6(10)8(13-7(5)11)14-2-1-12-4-14/h1-4H.
What are the key properties of 2,3,5-trichloro-6-imidazol-1-ylpyridine?
2,3,5-trichloro-6-imidazol-1-ylpyridine has a molecular weight of 248.50 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-6-imidazol-1-ylpyridine is sourced from PubChem (CID 102752140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).