2-ethoxy-6-formyl-5-nitrosopyridine-3-carbonitrile

C9H7N3O3 — CID 88881462

IUPAC2-ethoxy-6-formyl-5-nitrosopyridine-3-carbonitrile
SMILESCCOc1nc(C=O)c(N=O)cc1C#N
InChIInChI=1S/C9H7N3O3/c1-2-15-9-6(4-10)3-7(12-14)8(5-13)11-9/h3,5H,2H2,1H3
InChIKeyPLVLQVPAGZPUQR-UHFFFAOYSA-N
MW205.17 g/mol
LogP1.56
Rot. Bonds4

About 2-ethoxy-6-formyl-5-nitrosopyridine-3-carbonitrile

2-ethoxy-6-formyl-5-nitrosopyridine-3-carbonitrile (PubChem CID 88881462) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 2-ethoxy-6-formyl-5-nitrosopyridine-3-carbonitrile.

Molecular Properties

Compound Name2-ethoxy-6-formyl-5-nitrosopyridine-3-carbonitrile
PubChem CID88881462
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name2-ethoxy-6-formyl-5-nitrosopyridine-3-carbonitrile
SMILESCCOc1nc(C=O)c(N=O)cc1C#N
InChIInChI=1S/C9H7N3O3/c1-2-15-9-6(4-10)3-7(12-14)8(5-13)11-9/h3,5H,2H2,1H3
InChIKeyPLVLQVPAGZPUQR-UHFFFAOYSA-N
XLogP1.56
TPSA92.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-ethoxy-6-formyl-5-nitrosopyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-formyl-5-nitrosopyridine-3-carbonitrile?
The IUPAC name of 2-ethoxy-6-formyl-5-nitrosopyridine-3-carbonitrile (CID 88881462) is 2-ethoxy-6-formyl-5-nitrosopyridine-3-carbonitrile.
What is the SMILES notation for 2-ethoxy-6-formyl-5-nitrosopyridine-3-carbonitrile?
The canonical SMILES for 2-ethoxy-6-formyl-5-nitrosopyridine-3-carbonitrile is CCOc1nc(C=O)c(N=O)cc1C#N.
What is the InChIKey of 2-ethoxy-6-formyl-5-nitrosopyridine-3-carbonitrile?
The InChIKey is PLVLQVPAGZPUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c1-2-15-9-6(4-10)3-7(12-14)8(5-13)11-9/h3,5H,2H2,1H3.
What are the key properties of 2-ethoxy-6-formyl-5-nitrosopyridine-3-carbonitrile?
2-ethoxy-6-formyl-5-nitrosopyridine-3-carbonitrile has a molecular weight of 205.17 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-formyl-5-nitrosopyridine-3-carbonitrile is sourced from PubChem (CID 88881462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).