2-(2,4-difluorophenoxy)-3-nitroimidazo[1,2-a]pyridine

C13H7F2N3O3 — CID 51245760

IUPAC2-(2,4-difluorophenoxy)-3-nitroimidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1c(Oc2ccc(F)cc2F)nc2ccccn12
InChIInChI=1S/C13H7F2N3O3/c14-8-4-5-10(9(15)7-8)21-12-13(18(19)20)17-6-2-1-3-11(17)16-12/h1-7H
InChIKeyDGODMRJUDFEULN-UHFFFAOYSA-N
MW291.21 g/mol
LogP3.31
Rot. Bonds3

About 2-(2,4-difluorophenoxy)-3-nitroimidazo[1,2-a]pyridine

2-(2,4-difluorophenoxy)-3-nitroimidazo[1,2-a]pyridine (PubChem CID 51245760) has the molecular formula C13H7F2N3O3 and a molecular weight of 291.21 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-3-nitroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-3-nitroimidazo[1,2-a]pyridine
PubChem CID51245760
Molecular FormulaC13H7F2N3O3
Molecular Weight291.21 g/mol
Exact Mass291.05
IUPAC Name2-(2,4-difluorophenoxy)-3-nitroimidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1c(Oc2ccc(F)cc2F)nc2ccccn12
InChIInChI=1S/C13H7F2N3O3/c14-8-4-5-10(9(15)7-8)21-12-13(18(19)20)17-6-2-1-3-11(17)16-12/h1-7H
InChIKeyDGODMRJUDFEULN-UHFFFAOYSA-N
XLogP3.31
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-3-nitroimidazo[1,2-a]pyridine?
The IUPAC name of 2-(2,4-difluorophenoxy)-3-nitroimidazo[1,2-a]pyridine (CID 51245760) is 2-(2,4-difluorophenoxy)-3-nitroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-3-nitroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(2,4-difluorophenoxy)-3-nitroimidazo[1,2-a]pyridine is O=[N+]([O-])c1c(Oc2ccc(F)cc2F)nc2ccccn12.
What is the InChIKey of 2-(2,4-difluorophenoxy)-3-nitroimidazo[1,2-a]pyridine?
The InChIKey is DGODMRJUDFEULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2N3O3/c14-8-4-5-10(9(15)7-8)21-12-13(18(19)20)17-6-2-1-3-11(17)16-12/h1-7H.
What are the key properties of 2-(2,4-difluorophenoxy)-3-nitroimidazo[1,2-a]pyridine?
2-(2,4-difluorophenoxy)-3-nitroimidazo[1,2-a]pyridine has a molecular weight of 291.21 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-3-nitroimidazo[1,2-a]pyridine is sourced from PubChem (CID 51245760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).