2-[4-(difluoromethoxy)phenyl]-6-nitroimidazo[1,2-a]pyridine

C14H9F2N3O3 — CID 4239500

IUPAC2-[4-(difluoromethoxy)phenyl]-6-nitroimidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1ccc2nc(-c3ccc(OC(F)F)cc3)cn2c1
InChIInChI=1S/C14H9F2N3O3/c15-14(16)22-11-4-1-9(2-5-11)12-8-18-7-10(19(20)21)3-6-13(18)17-12/h1-8,14H
InChIKeyBAKHLDCYWPGICS-UHFFFAOYSA-N
MW305.24 g/mol
LogP3.51
Rot. Bonds4

About 2-[4-(difluoromethoxy)phenyl]-6-nitroimidazo[1,2-a]pyridine

2-[4-(difluoromethoxy)phenyl]-6-nitroimidazo[1,2-a]pyridine (PubChem CID 4239500) has the molecular formula C14H9F2N3O3 and a molecular weight of 305.24 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-6-nitroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-6-nitroimidazo[1,2-a]pyridine
PubChem CID4239500
Molecular FormulaC14H9F2N3O3
Molecular Weight305.24 g/mol
Exact Mass305.06
IUPAC Name2-[4-(difluoromethoxy)phenyl]-6-nitroimidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1ccc2nc(-c3ccc(OC(F)F)cc3)cn2c1
InChIInChI=1S/C14H9F2N3O3/c15-14(16)22-11-4-1-9(2-5-11)12-8-18-7-10(19(20)21)3-6-13(18)17-12/h1-8,14H
InChIKeyBAKHLDCYWPGICS-UHFFFAOYSA-N
XLogP3.51
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 53.51
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-[4-(difluoromethoxy)phenyl]-6-nitroimidazo[1,2-a]pyridine?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-6-nitroimidazo[1,2-a]pyridine (CID 4239500) is 2-[4-(difluoromethoxy)phenyl]-6-nitroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-6-nitroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-6-nitroimidazo[1,2-a]pyridine is O=[N+]([O-])c1ccc2nc(-c3ccc(OC(F)F)cc3)cn2c1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-6-nitroimidazo[1,2-a]pyridine?
The InChIKey is BAKHLDCYWPGICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O3/c15-14(16)22-11-4-1-9(2-5-11)12-8-18-7-10(19(20)21)3-6-13(18)17-12/h1-8,14H.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-6-nitroimidazo[1,2-a]pyridine?
2-[4-(difluoromethoxy)phenyl]-6-nitroimidazo[1,2-a]pyridine has a molecular weight of 305.24 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-6-nitroimidazo[1,2-a]pyridine is sourced from PubChem (CID 4239500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).