5-ethoxy-2-(3-nitrophenyl)pyridine-4-carbonitrile

C14H11N3O3 — CID 132589086

IUPAC5-ethoxy-2-(3-nitrophenyl)pyridine-4-carbonitrile
SMILESCCOc1cnc(-c2cccc([N+](=O)[O-])c2)cc1C#N
InChIInChI=1S/C14H11N3O3/c1-2-20-14-9-16-13(7-11(14)8-15)10-4-3-5-12(6-10)17(18)19/h3-7,9H,2H2,1H3
InChIKeyYOZFQRLYHWMKKZ-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.93
Rot. Bonds4

About 5-ethoxy-2-(3-nitrophenyl)pyridine-4-carbonitrile

5-ethoxy-2-(3-nitrophenyl)pyridine-4-carbonitrile (PubChem CID 132589086) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-ethoxy-2-(3-nitrophenyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name5-ethoxy-2-(3-nitrophenyl)pyridine-4-carbonitrile
PubChem CID132589086
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name5-ethoxy-2-(3-nitrophenyl)pyridine-4-carbonitrile
SMILESCCOc1cnc(-c2cccc([N+](=O)[O-])c2)cc1C#N
InChIInChI=1S/C14H11N3O3/c1-2-20-14-9-16-13(7-11(14)8-15)10-4-3-5-12(6-10)17(18)19/h3-7,9H,2H2,1H3
InChIKeyYOZFQRLYHWMKKZ-UHFFFAOYSA-N
XLogP2.93
TPSA89.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.93
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

5-ethoxy-2-phenylpyridine-4-carbonitrile
CID 132588886
2-(3-chlorophenyl)-5-ethoxypyridine-4-carbonitrile
CID 132588920
5-ethoxy-2-(3-nitrophenyl)-1,3-oxazole
CID 132589107
3-(2-ethoxyphenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 5085046
2-(3-nitrophenyl)pyridine-3,5-dicarbonitrile
CID 141046582
2-hydroxy-4-(3-nitrophenyl)benzonitrile
CID 53219988
1-ethyl-6-(3-nitrophenyl)-2-oxopyridine-3-carbonitrile
CID 82099228
2-(2-ethoxyethoxy)-5-nitrobenzonitrile
CID 113324288
[6-(3-nitrophenyl)-3-pyridinyl]methanol
CID 24729921
N-ethyl-2-(3-nitrophenyl)pyridin-4-amine
CID 102824677
3-(3-ethoxy-4-hydroxyphenyl)-2-(3-nitrophenyl)prop-2-enenitrile
CID 3985079
2-methoxy-4-nitro-1-(3-nitrophenyl)benzene
CID 91596770

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(3-nitrophenyl)pyridine-4-carbonitrile?
The IUPAC name of 5-ethoxy-2-(3-nitrophenyl)pyridine-4-carbonitrile (CID 132589086) is 5-ethoxy-2-(3-nitrophenyl)pyridine-4-carbonitrile.
What is the SMILES notation for 5-ethoxy-2-(3-nitrophenyl)pyridine-4-carbonitrile?
The canonical SMILES for 5-ethoxy-2-(3-nitrophenyl)pyridine-4-carbonitrile is CCOc1cnc(-c2cccc([N+](=O)[O-])c2)cc1C#N.
What is the InChIKey of 5-ethoxy-2-(3-nitrophenyl)pyridine-4-carbonitrile?
The InChIKey is YOZFQRLYHWMKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-2-20-14-9-16-13(7-11(14)8-15)10-4-3-5-12(6-10)17(18)19/h3-7,9H,2H2,1H3.
What are the key properties of 5-ethoxy-2-(3-nitrophenyl)pyridine-4-carbonitrile?
5-ethoxy-2-(3-nitrophenyl)pyridine-4-carbonitrile has a molecular weight of 269.26 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(3-nitrophenyl)pyridine-4-carbonitrile is sourced from PubChem (CID 132589086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).