3-(4-ethyl-2-nitrophenoxy)pyridazine-4-carbonitrile

C13H10N4O3 — CID 80510784

IUPAC3-(4-ethyl-2-nitrophenoxy)pyridazine-4-carbonitrile
SMILESCCc1ccc(Oc2nnccc2C#N)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10N4O3/c1-2-9-3-4-12(11(7-9)17(18)19)20-13-10(8-14)5-6-15-16-13/h3-7H,2H2,1H3
InChIKeyUTIQPQNNWBMMEW-UHFFFAOYSA-N
MW270.25 g/mol
LogP2.61
Rot. Bonds4

About 3-(4-ethyl-2-nitrophenoxy)pyridazine-4-carbonitrile

3-(4-ethyl-2-nitrophenoxy)pyridazine-4-carbonitrile (PubChem CID 80510784) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 3-(4-ethyl-2-nitrophenoxy)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(4-ethyl-2-nitrophenoxy)pyridazine-4-carbonitrile
PubChem CID80510784
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name3-(4-ethyl-2-nitrophenoxy)pyridazine-4-carbonitrile
SMILESCCc1ccc(Oc2nnccc2C#N)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10N4O3/c1-2-9-3-4-12(11(7-9)17(18)19)20-13-10(8-14)5-6-15-16-13/h3-7H,2H2,1H3
InChIKeyUTIQPQNNWBMMEW-UHFFFAOYSA-N
XLogP2.61
TPSA101.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 52.61
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

3-(2-amino-4-ethylphenoxy)pyridazine-4-carbonitrile
CID 80514825
3-(4-methoxy-3-nitrophenoxy)pyridazine-4-carbonitrile
CID 103201652
2-(4-ethyl-2-nitrophenoxy)-5-methylbenzonitrile
CID 107928213
3-(4-bromo-5-fluoro-2-nitrophenoxy)pyridazine-4-carbonitrile
CID 103483234
3-(2-methyl-3-nitrophenoxy)pyridazine-4-carbonitrile
CID 80510977
3-(2-fluoro-5-methyl-4-nitrophenoxy)pyridazine-4-carbonitrile
CID 114416620
3,5-dichloro-6-(4-ethyl-2-nitrophenoxy)pyridin-2-amine
CID 102760998
1-ethenoxy-4-ethyl-2-nitrobenzene
CID 66367399
4-chloro-2-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrimidine
CID 80938633
4-(4-ethyl-2-nitrophenoxy)-2,2-dimethylbutanenitrile
CID 65256820
4-(4-ethyl-2-nitrophenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80871267
4-chloro-6-(4-ethyl-2-nitrophenoxy)-1,3,5-triazin-2-amine
CID 80876755

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-2-nitrophenoxy)pyridazine-4-carbonitrile?
The IUPAC name of 3-(4-ethyl-2-nitrophenoxy)pyridazine-4-carbonitrile (CID 80510784) is 3-(4-ethyl-2-nitrophenoxy)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(4-ethyl-2-nitrophenoxy)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(4-ethyl-2-nitrophenoxy)pyridazine-4-carbonitrile is CCc1ccc(Oc2nnccc2C#N)c([N+](=O)[O-])c1.
What is the InChIKey of 3-(4-ethyl-2-nitrophenoxy)pyridazine-4-carbonitrile?
The InChIKey is UTIQPQNNWBMMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c1-2-9-3-4-12(11(7-9)17(18)19)20-13-10(8-14)5-6-15-16-13/h3-7H,2H2,1H3.
What are the key properties of 3-(4-ethyl-2-nitrophenoxy)pyridazine-4-carbonitrile?
3-(4-ethyl-2-nitrophenoxy)pyridazine-4-carbonitrile has a molecular weight of 270.25 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-2-nitrophenoxy)pyridazine-4-carbonitrile is sourced from PubChem (CID 80510784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).