5,7-dichloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine

C7H2Cl2F3N3 — CID 118988329

IUPAC5,7-dichloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1nc2nc(Cl)cc(Cl)c2[nH]1
InChIInChI=1S/C7H2Cl2F3N3/c8-2-1-3(9)13-5-4(2)14-6(15-5)7(10,11)12/h1H,(H,13,14,15)
InChIKeyKXPIQLFUTCCYCR-UHFFFAOYSA-N
MW256.01 g/mol
LogP3.28
Rot. Bonds

About 5,7-dichloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine

5,7-dichloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 118988329) has the molecular formula C7H2Cl2F3N3 and a molecular weight of 256.01 g/mol. Its IUPAC name is 5,7-dichloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5,7-dichloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
PubChem CID118988329
Molecular FormulaC7H2Cl2F3N3
Molecular Weight256.01 g/mol
Exact Mass254.96
IUPAC Name5,7-dichloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1nc2nc(Cl)cc(Cl)c2[nH]1
InChIInChI=1S/C7H2Cl2F3N3/c8-2-1-3(9)13-5-4(2)14-6(15-5)7(10,11)12/h1H,(H,13,14,15)
InChIKeyKXPIQLFUTCCYCR-UHFFFAOYSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.01
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5,7-dichloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine (CID 118988329) is 5,7-dichloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5,7-dichloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5,7-dichloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine is FC(F)(F)c1nc2nc(Cl)cc(Cl)c2[nH]1.
What is the InChIKey of 5,7-dichloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is KXPIQLFUTCCYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2F3N3/c8-2-1-3(9)13-5-4(2)14-6(15-5)7(10,11)12/h1H,(H,13,14,15).
What are the key properties of 5,7-dichloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
5,7-dichloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 256.01 g/mol, XLogP of 3.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 118988329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).