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

C7H3ClF3N3 — CID 13118322

IUPAC5-chloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1nc2nc(Cl)ccc2[nH]1
InChIInChI=1S/C7H3ClF3N3/c8-4-2-1-3-5(13-4)14-6(12-3)7(9,10)11/h1-2H,(H,12,13,14)
InChIKeyJIFFIOLNCXHOHH-UHFFFAOYSA-N
MW221.57 g/mol
LogP2.63
Rot. Bonds

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

5-chloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 13118322) has the molecular formula C7H3ClF3N3 and a molecular weight of 221.57 g/mol. Its IUPAC name is 5-chloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
PubChem CID13118322
Molecular FormulaC7H3ClF3N3
Molecular Weight221.57 g/mol
Exact Mass221.00
IUPAC Name5-chloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1nc2nc(Cl)ccc2[nH]1
InChIInChI=1S/C7H3ClF3N3/c8-4-2-1-3-5(13-4)14-6(12-3)7(9,10)11/h1-2H,(H,12,13,14)
InChIKeyJIFFIOLNCXHOHH-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.57
LogP ≤ 52.63
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-chloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-chloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine (CID 13118322) is 5-chloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine is FC(F)(F)c1nc2nc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is JIFFIOLNCXHOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3N3/c8-4-2-1-3-5(13-4)14-6(12-3)7(9,10)11/h1-2H,(H,12,13,14).
What are the key properties of 5-chloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
5-chloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 221.57 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 13118322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).