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

C9H8F3N3 — CID 156690056

IUPAC2-ethyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
SMILESCCc1nc2nc(C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C9H8F3N3/c1-2-7-13-5-3-4-6(9(10,11)12)14-8(5)15-7/h3-4H,2H2,1H3,(H,13,14,15)
InChIKeyGTHOGYJTLSTENW-UHFFFAOYSA-N
MW215.18 g/mol
LogP2.54
Rot. Bonds1

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

2-ethyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 156690056) has the molecular formula C9H8F3N3 and a molecular weight of 215.18 g/mol. Its IUPAC name is 2-ethyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-ethyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
PubChem CID156690056
Molecular FormulaC9H8F3N3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name2-ethyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
SMILESCCc1nc2nc(C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C9H8F3N3/c1-2-7-13-5-3-4-6(9(10,11)12)14-8(5)15-7/h3-4H,2H2,1H3,(H,13,14,15)
InChIKeyGTHOGYJTLSTENW-UHFFFAOYSA-N
XLogP2.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-ethyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine (CID 156690056) is 2-ethyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-ethyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-ethyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine is CCc1nc2nc(C(F)(F)F)ccc2[nH]1.
What is the InChIKey of 2-ethyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is GTHOGYJTLSTENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3/c1-2-7-13-5-3-4-6(9(10,11)12)14-8(5)15-7/h3-4H,2H2,1H3,(H,13,14,15).
What are the key properties of 2-ethyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
2-ethyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 215.18 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 156690056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).