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

C9H8F3N3O — CID 79815994

IUPAC5-ethoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
SMILESCCOc1ccc2[nH]c(C(F)(F)F)nc2n1
InChIInChI=1S/C9H8F3N3O/c1-2-16-6-4-3-5-7(14-6)15-8(13-5)9(10,11)12/h3-4H,2H2,1H3,(H,13,14,15)
InChIKeyVYXIYHJMXAYYHB-UHFFFAOYSA-N
MW231.18 g/mol
LogP2.38
Rot. Bonds2

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

5-ethoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 79815994) has the molecular formula C9H8F3N3O and a molecular weight of 231.18 g/mol. Its IUPAC name is 5-ethoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-ethoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
PubChem CID79815994
Molecular FormulaC9H8F3N3O
Molecular Weight231.18 g/mol
Exact Mass231.06
IUPAC Name5-ethoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
SMILESCCOc1ccc2[nH]c(C(F)(F)F)nc2n1
InChIInChI=1S/C9H8F3N3O/c1-2-16-6-4-3-5-7(14-6)15-8(13-5)9(10,11)12/h3-4H,2H2,1H3,(H,13,14,15)
InChIKeyVYXIYHJMXAYYHB-UHFFFAOYSA-N
XLogP2.38
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-ethoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine (CID 79815994) is 5-ethoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-ethoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-ethoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine is CCOc1ccc2[nH]c(C(F)(F)F)nc2n1.
What is the InChIKey of 5-ethoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is VYXIYHJMXAYYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O/c1-2-16-6-4-3-5-7(14-6)15-8(13-5)9(10,11)12/h3-4H,2H2,1H3,(H,13,14,15).
What are the key properties of 5-ethoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
5-ethoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 231.18 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 79815994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).