2-(3-nitrophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine

C14H8F3N3O2 — CID 45158631

IUPAC2-(3-nitrophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1cccc(-c2cn3cccc(C(F)(F)F)c3n2)c1
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)11-5-2-6-19-8-12(18-13(11)19)9-3-1-4-10(7-9)20(21)22/h1-8H
InChIKeyAOZPGZCBMGQPMP-UHFFFAOYSA-N
MW307.23 g/mol
LogP3.93
Rot. Bonds2

About 2-(3-nitrophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine

2-(3-nitrophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 45158631) has the molecular formula C14H8F3N3O2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 2-(3-nitrophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(3-nitrophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID45158631
Molecular FormulaC14H8F3N3O2
Molecular Weight307.23 g/mol
Exact Mass307.06
IUPAC Name2-(3-nitrophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1cccc(-c2cn3cccc(C(F)(F)F)c3n2)c1
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)11-5-2-6-19-8-12(18-13(11)19)9-3-1-4-10(7-9)20(21)22/h1-8H
InChIKeyAOZPGZCBMGQPMP-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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Related Compounds

8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde
CID 83966609
ethane;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 143902946
1,3-bis(3-nitrophenyl)-5-[3-(trifluoromethyl)phenyl]benzene
CID 141365870
4-(3-nitrophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 91926987
7-methyl-6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]imidazole
CID 5028639
N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,5-dinitrobenzamide
CID 121028685
1-nitro-3-[4-(trifluoromethyl)phenyl]benzene
CID 54368698
4-(3-nitrophenyl)-8-(trifluoromethyl)quinoline
CID 174518716
3-(4-chlorophenyl)-5-(3-nitrophenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 130192912
methyl-oxo-[3-[2-[2-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]azanium
CID 89283179
7-(3-nitrophenyl)-11-phenyl-13-(trifluoromethyl)-3,4,5,6,8,10-hexazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene
CID 139220102
4-(3-nitrophenyl)-2-phenyl-1,3-thiazole
CID 847322

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(3-nitrophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 45158631) is 2-(3-nitrophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(3-nitrophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(3-nitrophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine is O=[N+]([O-])c1cccc(-c2cn3cccc(C(F)(F)F)c3n2)c1.
What is the InChIKey of 2-(3-nitrophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is AOZPGZCBMGQPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O2/c15-14(16,17)11-5-2-6-19-8-12(18-13(11)19)9-3-1-4-10(7-9)20(21)22/h1-8H.
What are the key properties of 2-(3-nitrophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
2-(3-nitrophenyl)-8-(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-(3-nitrophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 45158631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).