5-methoxy-2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine

C9H8F3N3O — CID 65482880

IUPAC5-methoxy-2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(CC(F)(F)F)nc2n1
InChIInChI=1S/C9H8F3N3O/c1-16-7-3-2-5-8(15-7)14-6(13-5)4-9(10,11)12/h2-3H,4H2,1H3,(H,13,14,15)
InChIKeyDCLXJSJOJXOVFK-UHFFFAOYSA-N
MW231.18 g/mol
LogP2.07
Rot. Bonds2

About 5-methoxy-2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine

5-methoxy-2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 65482880) has the molecular formula C9H8F3N3O and a molecular weight of 231.18 g/mol. Its IUPAC name is 5-methoxy-2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-methoxy-2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine
PubChem CID65482880
Molecular FormulaC9H8F3N3O
Molecular Weight231.18 g/mol
Exact Mass231.06
IUPAC Name5-methoxy-2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(CC(F)(F)F)nc2n1
InChIInChI=1S/C9H8F3N3O/c1-16-7-3-2-5-8(15-7)14-6(13-5)4-9(10,11)12/h2-3H,4H2,1H3,(H,13,14,15)
InChIKeyDCLXJSJOJXOVFK-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-methoxy-2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine (CID 65482880) is 5-methoxy-2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-methoxy-2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-methoxy-2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine is COc1ccc2[nH]c(CC(F)(F)F)nc2n1.
What is the InChIKey of 5-methoxy-2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is DCLXJSJOJXOVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O/c1-16-7-3-2-5-8(15-7)14-6(13-5)4-9(10,11)12/h2-3H,4H2,1H3,(H,13,14,15).
What are the key properties of 5-methoxy-2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine?
5-methoxy-2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 231.18 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 65482880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).