5-methoxy-2-(2,3,4-trifluorophenyl)-1H-imidazo[4,5-b]pyridine

C13H8F3N3O — CID 79749034

IUPAC5-methoxy-2-(2,3,4-trifluorophenyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(-c3ccc(F)c(F)c3F)nc2n1
InChIInChI=1S/C13H8F3N3O/c1-20-9-5-4-8-13(18-9)19-12(17-8)6-2-3-7(14)11(16)10(6)15/h2-5H,1H3,(H,17,18,19)
InChIKeyDLUMTGMLCLHXHU-UHFFFAOYSA-N
MW279.22 g/mol
LogP3.05
Rot. Bonds2

About 5-methoxy-2-(2,3,4-trifluorophenyl)-1H-imidazo[4,5-b]pyridine

5-methoxy-2-(2,3,4-trifluorophenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 79749034) has the molecular formula C13H8F3N3O and a molecular weight of 279.22 g/mol. Its IUPAC name is 5-methoxy-2-(2,3,4-trifluorophenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-methoxy-2-(2,3,4-trifluorophenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID79749034
Molecular FormulaC13H8F3N3O
Molecular Weight279.22 g/mol
Exact Mass279.06
IUPAC Name5-methoxy-2-(2,3,4-trifluorophenyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(-c3ccc(F)c(F)c3F)nc2n1
InChIInChI=1S/C13H8F3N3O/c1-20-9-5-4-8-13(18-9)19-12(17-8)6-2-3-7(14)11(16)10(6)15/h2-5H,1H3,(H,17,18,19)
InChIKeyDLUMTGMLCLHXHU-UHFFFAOYSA-N
XLogP3.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2,3,4-trifluorophenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-methoxy-2-(2,3,4-trifluorophenyl)-1H-imidazo[4,5-b]pyridine (CID 79749034) is 5-methoxy-2-(2,3,4-trifluorophenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-methoxy-2-(2,3,4-trifluorophenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-methoxy-2-(2,3,4-trifluorophenyl)-1H-imidazo[4,5-b]pyridine is COc1ccc2[nH]c(-c3ccc(F)c(F)c3F)nc2n1.
What is the InChIKey of 5-methoxy-2-(2,3,4-trifluorophenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is DLUMTGMLCLHXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O/c1-20-9-5-4-8-13(18-9)19-12(17-8)6-2-3-7(14)11(16)10(6)15/h2-5H,1H3,(H,17,18,19).
What are the key properties of 5-methoxy-2-(2,3,4-trifluorophenyl)-1H-imidazo[4,5-b]pyridine?
5-methoxy-2-(2,3,4-trifluorophenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 279.22 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2,3,4-trifluorophenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 79749034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).