5-chloro-2-(trichloromethyl)-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine

C8H2Cl4F3N3 — CID 14126939

IUPAC5-chloro-2-(trichloromethyl)-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1cc2[nH]c(C(Cl)(Cl)Cl)nc2nc1Cl
InChIInChI=1S/C8H2Cl4F3N3/c9-4-2(8(13,14)15)1-3-5(17-4)18-6(16-3)7(10,11)12/h1H,(H,16,17,18)
InChIKeySXGPRHLLQHGPRE-UHFFFAOYSA-N
MW338.93 g/mol
LogP4.46
Rot. Bonds

About 5-chloro-2-(trichloromethyl)-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine

5-chloro-2-(trichloromethyl)-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 14126939) has the molecular formula C8H2Cl4F3N3 and a molecular weight of 338.93 g/mol. Its IUPAC name is 5-chloro-2-(trichloromethyl)-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-2-(trichloromethyl)-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
PubChem CID14126939
Molecular FormulaC8H2Cl4F3N3
Molecular Weight338.93 g/mol
Exact Mass336.90
IUPAC Name5-chloro-2-(trichloromethyl)-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1cc2[nH]c(C(Cl)(Cl)Cl)nc2nc1Cl
InChIInChI=1S/C8H2Cl4F3N3/c9-4-2(8(13,14)15)1-3-5(17-4)18-6(16-3)7(10,11)12/h1H,(H,16,17,18)
InChIKeySXGPRHLLQHGPRE-UHFFFAOYSA-N
XLogP4.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.93
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(trichloromethyl)-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-chloro-2-(trichloromethyl)-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine (CID 14126939) is 5-chloro-2-(trichloromethyl)-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-2-(trichloromethyl)-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-2-(trichloromethyl)-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine is FC(F)(F)c1cc2[nH]c(C(Cl)(Cl)Cl)nc2nc1Cl.
What is the InChIKey of 5-chloro-2-(trichloromethyl)-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is SXGPRHLLQHGPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl4F3N3/c9-4-2(8(13,14)15)1-3-5(17-4)18-6(16-3)7(10,11)12/h1H,(H,16,17,18).
What are the key properties of 5-chloro-2-(trichloromethyl)-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
5-chloro-2-(trichloromethyl)-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 338.93 g/mol, XLogP of 4.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(trichloromethyl)-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 14126939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).