6-(2-ethylimidazol-1-yl)-3-nitropyridine-2-carbonitrile

C11H9N5O2 — CID 103473397

IUPAC6-(2-ethylimidazol-1-yl)-3-nitropyridine-2-carbonitrile
SMILESCCc1nccn1-c1ccc([N+](=O)[O-])c(C#N)n1
InChIInChI=1S/C11H9N5O2/c1-2-10-13-5-6-15(10)11-4-3-9(16(17)18)8(7-12)14-11/h3-6H,2H2,1H3
InChIKeyJSWVUCIJULDGRX-UHFFFAOYSA-N
MW243.23 g/mol
LogP1.61
Rot. Bonds3

About 6-(2-ethylimidazol-1-yl)-3-nitropyridine-2-carbonitrile

6-(2-ethylimidazol-1-yl)-3-nitropyridine-2-carbonitrile (PubChem CID 103473397) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 6-(2-ethylimidazol-1-yl)-3-nitropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(2-ethylimidazol-1-yl)-3-nitropyridine-2-carbonitrile
PubChem CID103473397
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Name6-(2-ethylimidazol-1-yl)-3-nitropyridine-2-carbonitrile
SMILESCCc1nccn1-c1ccc([N+](=O)[O-])c(C#N)n1
InChIInChI=1S/C11H9N5O2/c1-2-10-13-5-6-15(10)11-4-3-9(16(17)18)8(7-12)14-11/h3-6H,2H2,1H3
InChIKeyJSWVUCIJULDGRX-UHFFFAOYSA-N
XLogP1.61
TPSA97.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

1-(3-ethoxy-4-nitrophenyl)-2-ethylimidazole
CID 55238459
3-nitro-6-piperidin-1-ylpyridine-2-carbonitrile
CID 133499892
2-ethyl-1-(4-nitro-3-propoxyphenyl)imidazole
CID 63812174
6-(2-ethylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile
CID 133499900
6-(4-hydroxy-3-methylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile
CID 103473000
2-(2-ethylimidazol-1-yl)-5-nitroaniline
CID 55080396
4-(2-ethylimidazol-1-yl)pyrimidine
CID 63812306
4-(2-ethylimidazol-1-yl)-N,N-dimethyl-3-nitrobenzamide
CID 82990561
6-[3-(hydroxymethyl)morpholin-4-yl]-3-nitropyridine-2-carbonitrile
CID 103472986
6-[4-methyl-4-(methylamino)piperidin-1-yl]-3-nitropyridine-2-carbonitrile
CID 103472568
4-(2-ethylimidazol-1-yl)-5-nitro-2-(trifluoromethyl)pyridine
CID 106750160
1-[5-(2-ethylimidazol-1-yl)-4-nitrothiophen-2-yl]ethanol
CID 112623443

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylimidazol-1-yl)-3-nitropyridine-2-carbonitrile?
The IUPAC name of 6-(2-ethylimidazol-1-yl)-3-nitropyridine-2-carbonitrile (CID 103473397) is 6-(2-ethylimidazol-1-yl)-3-nitropyridine-2-carbonitrile.
What is the SMILES notation for 6-(2-ethylimidazol-1-yl)-3-nitropyridine-2-carbonitrile?
The canonical SMILES for 6-(2-ethylimidazol-1-yl)-3-nitropyridine-2-carbonitrile is CCc1nccn1-c1ccc([N+](=O)[O-])c(C#N)n1.
What is the InChIKey of 6-(2-ethylimidazol-1-yl)-3-nitropyridine-2-carbonitrile?
The InChIKey is JSWVUCIJULDGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2/c1-2-10-13-5-6-15(10)11-4-3-9(16(17)18)8(7-12)14-11/h3-6H,2H2,1H3.
What are the key properties of 6-(2-ethylimidazol-1-yl)-3-nitropyridine-2-carbonitrile?
6-(2-ethylimidazol-1-yl)-3-nitropyridine-2-carbonitrile has a molecular weight of 243.23 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylimidazol-1-yl)-3-nitropyridine-2-carbonitrile is sourced from PubChem (CID 103473397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).