5-chloro-3-(ethoxymethyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine

C10H9ClF3N3O — CID 178129927

IUPAC5-chloro-3-(ethoxymethyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCOCn1cnc2cc(C(F)(F)F)c(Cl)nc21
InChIInChI=1S/C10H9ClF3N3O/c1-2-18-5-17-4-15-7-3-6(10(12,13)14)8(11)16-9(7)17/h3-4H,2,5H2,1H3
InChIKeyKIRKPOOVROWLCI-UHFFFAOYSA-N
MW279.65 g/mol
LogP3.10
Rot. Bonds3

About 5-chloro-3-(ethoxymethyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine

5-chloro-3-(ethoxymethyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 178129927) has the molecular formula C10H9ClF3N3O and a molecular weight of 279.65 g/mol. Its IUPAC name is 5-chloro-3-(ethoxymethyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-3-(ethoxymethyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID178129927
Molecular FormulaC10H9ClF3N3O
Molecular Weight279.65 g/mol
Exact Mass279.04
IUPAC Name5-chloro-3-(ethoxymethyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCOCn1cnc2cc(C(F)(F)F)c(Cl)nc21
InChIInChI=1S/C10H9ClF3N3O/c1-2-18-5-17-4-15-7-3-6(10(12,13)14)8(11)16-9(7)17/h3-4H,2,5H2,1H3
InChIKeyKIRKPOOVROWLCI-UHFFFAOYSA-N
XLogP3.10
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.65
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-3-(ethoxymethyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 5-chloro-3-(ethoxymethyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 178129927) is 5-chloro-3-(ethoxymethyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-3-(ethoxymethyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-3-(ethoxymethyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine is CCOCn1cnc2cc(C(F)(F)F)c(Cl)nc21.
What is the InChIKey of 5-chloro-3-(ethoxymethyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is KIRKPOOVROWLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N3O/c1-2-18-5-17-4-15-7-3-6(10(12,13)14)8(11)16-9(7)17/h3-4H,2,5H2,1H3.
What are the key properties of 5-chloro-3-(ethoxymethyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
5-chloro-3-(ethoxymethyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 279.65 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(ethoxymethyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 178129927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).