1-[2-(3-nitrophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanone

C16H10F3N3O3 — CID 91664382

IUPAC1-[2-(3-nitrophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanone
SMILESCC(=O)c1c(-c2cccc([N+](=O)[O-])c2)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C16H10F3N3O3/c1-9(23)15-14(10-3-2-4-12(7-10)22(24)25)20-13-6-5-11(8-21(13)15)16(17,18)19/h2-8H,1H3
InChIKeyZTBFVIFKOLDABF-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.13
Rot. Bonds3

About 1-[2-(3-nitrophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanone

1-[2-(3-nitrophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanone (PubChem CID 91664382) has the molecular formula C16H10F3N3O3 and a molecular weight of 349.27 g/mol. Its IUPAC name is 1-[2-(3-nitrophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3-nitrophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanone
PubChem CID91664382
Molecular FormulaC16H10F3N3O3
Molecular Weight349.27 g/mol
Exact Mass349.07
IUPAC Name1-[2-(3-nitrophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanone
SMILESCC(=O)c1c(-c2cccc([N+](=O)[O-])c2)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C16H10F3N3O3/c1-9(23)15-14(10-3-2-4-12(7-10)22(24)25)20-13-6-5-11(8-21(13)15)16(17,18)19/h2-8H,1H3
InChIKeyZTBFVIFKOLDABF-UHFFFAOYSA-N
XLogP4.13
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.13
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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Related Compounds

3,6-dimethyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
CID 115403762
1-nitro-3-[4-(trifluoromethyl)phenyl]benzene
CID 54368698
[6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 46220572
1,3-bis(3-nitrophenyl)-5-[3-(trifluoromethyl)phenyl]benzene
CID 141365870
2-methoxy-1-[4-[[2-(3-nitrophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
CID 83274417
[4-[[2-(4-methoxyphenyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 83275121
3-fluoro-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
CID 122403866
[2-(3-methoxyphenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 46224159
1-(4-tert-butylphenyl)-3-nitrobenzene
CID 67097835
3-(chloromethyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
CID 82029732
3,3-dimethyl-1-[4-[[6-(3-methylphenyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]butan-1-one
CID 83286701
1-ethyl-3-(3-nitrophenyl)pyrazole-4-carboxylate
CID 20848753

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-nitrophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanone?
The IUPAC name of 1-[2-(3-nitrophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanone (CID 91664382) is 1-[2-(3-nitrophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanone.
What is the SMILES notation for 1-[2-(3-nitrophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanone?
The canonical SMILES for 1-[2-(3-nitrophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanone is CC(=O)c1c(-c2cccc([N+](=O)[O-])c2)nc2ccc(C(F)(F)F)cn12.
What is the InChIKey of 1-[2-(3-nitrophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanone?
The InChIKey is ZTBFVIFKOLDABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O3/c1-9(23)15-14(10-3-2-4-12(7-10)22(24)25)20-13-6-5-11(8-21(13)15)16(17,18)19/h2-8H,1H3.
What are the key properties of 1-[2-(3-nitrophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanone?
1-[2-(3-nitrophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanone has a molecular weight of 349.27 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-nitrophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanone is sourced from PubChem (CID 91664382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).