2-(4-nitrophenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine

C14H8F3N3O2 — CID 45158613

IUPAC2-(4-nitrophenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1ccc(-c2cn3c(C(F)(F)F)cccc3n2)cc1
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)12-2-1-3-13-18-11(8-19(12)13)9-4-6-10(7-5-9)20(21)22/h1-8H
InChIKeySNZQEQAVGRPDDK-UHFFFAOYSA-N
MW307.23 g/mol
LogP3.93
Rot. Bonds2

About 2-(4-nitrophenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine

2-(4-nitrophenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 45158613) has the molecular formula C14H8F3N3O2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-nitrophenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID45158613
Molecular FormulaC14H8F3N3O2
Molecular Weight307.23 g/mol
Exact Mass307.06
IUPAC Name2-(4-nitrophenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1ccc(-c2cn3c(C(F)(F)F)cccc3n2)cc1
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)12-2-1-3-13-18-11(8-19(12)13)9-4-6-10(7-5-9)20(21)22/h1-8H
InChIKeySNZQEQAVGRPDDK-UHFFFAOYSA-N
XLogP3.93
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-nitrophenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-nitrophenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 45158613) is 2-(4-nitrophenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-nitrophenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-nitrophenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine is O=[N+]([O-])c1ccc(-c2cn3c(C(F)(F)F)cccc3n2)cc1.
What is the InChIKey of 2-(4-nitrophenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is SNZQEQAVGRPDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O2/c15-14(16,17)12-2-1-3-13-18-11(8-19(12)13)9-4-6-10(7-5-9)20(21)22/h1-8H.
What are the key properties of 2-(4-nitrophenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine?
2-(4-nitrophenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 307.23 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 45158613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).