4-(2-ethylimidazol-1-yl)-5-nitro-2-(trifluoromethyl)pyridine

C11H9F3N4O2 — CID 106750160

IUPAC4-(2-ethylimidazol-1-yl)-5-nitro-2-(trifluoromethyl)pyridine
SMILESCCc1nccn1-c1cc(C(F)(F)F)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H9F3N4O2/c1-2-10-15-3-4-17(10)7-5-9(11(12,13)14)16-6-8(7)18(19)20/h3-6H,2H2,1H3
InChIKeyDOQTVDFSROQYCO-UHFFFAOYSA-N
MW286.21 g/mol
LogP2.76
Rot. Bonds3

About 4-(2-ethylimidazol-1-yl)-5-nitro-2-(trifluoromethyl)pyridine

4-(2-ethylimidazol-1-yl)-5-nitro-2-(trifluoromethyl)pyridine (PubChem CID 106750160) has the molecular formula C11H9F3N4O2 and a molecular weight of 286.21 g/mol. Its IUPAC name is 4-(2-ethylimidazol-1-yl)-5-nitro-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(2-ethylimidazol-1-yl)-5-nitro-2-(trifluoromethyl)pyridine
PubChem CID106750160
Molecular FormulaC11H9F3N4O2
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC Name4-(2-ethylimidazol-1-yl)-5-nitro-2-(trifluoromethyl)pyridine
SMILESCCc1nccn1-c1cc(C(F)(F)F)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H9F3N4O2/c1-2-10-15-3-4-17(10)7-5-9(11(12,13)14)16-6-8(7)18(19)20/h3-6H,2H2,1H3
InChIKeyDOQTVDFSROQYCO-UHFFFAOYSA-N
XLogP2.76
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 52.76
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-ethyl-1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]azetidin-3-ol
CID 106750079
4-methyl-5-nitro-2-(trifluoromethyl)pyridine
CID 53414275
[1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]methanol
CID 106750084
4-(2-ethylimidazol-1-yl)-N,N-dimethyl-3-nitrobenzamide
CID 82990561
2-(2-ethylimidazol-1-yl)-5-nitroaniline
CID 55080396
1-[5-(2-ethylimidazol-1-yl)-4-nitrothiophen-2-yl]ethanol
CID 112623443
1-(3-ethoxy-4-nitrophenyl)-2-ethylimidazole
CID 55238459
1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxylic acid
CID 106750108
[1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methanamine
CID 106749784
2-ethyl-1-(4-nitro-3-propoxyphenyl)imidazole
CID 63812174
4-(2-ethylimidazol-1-yl)-3-(trifluoromethyl)aniline
CID 61402459
5-iodo-4-nitro-2-(trifluoromethyl)pyridine
CID 130782981

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylimidazol-1-yl)-5-nitro-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-(2-ethylimidazol-1-yl)-5-nitro-2-(trifluoromethyl)pyridine (CID 106750160) is 4-(2-ethylimidazol-1-yl)-5-nitro-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(2-ethylimidazol-1-yl)-5-nitro-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(2-ethylimidazol-1-yl)-5-nitro-2-(trifluoromethyl)pyridine is CCc1nccn1-c1cc(C(F)(F)F)ncc1[N+](=O)[O-].
What is the InChIKey of 4-(2-ethylimidazol-1-yl)-5-nitro-2-(trifluoromethyl)pyridine?
The InChIKey is DOQTVDFSROQYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2/c1-2-10-15-3-4-17(10)7-5-9(11(12,13)14)16-6-8(7)18(19)20/h3-6H,2H2,1H3.
What are the key properties of 4-(2-ethylimidazol-1-yl)-5-nitro-2-(trifluoromethyl)pyridine?
4-(2-ethylimidazol-1-yl)-5-nitro-2-(trifluoromethyl)pyridine has a molecular weight of 286.21 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylimidazol-1-yl)-5-nitro-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 106750160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).