5-(1-cyanoethenyl)pyridine-2-carbonyl cyanide

C10H5N3O — CID 166919751

IUPAC5-(1-cyanoethenyl)pyridine-2-carbonyl cyanide
SMILESC=C(C#N)c1ccc(C(=O)C#N)nc1
InChIInChI=1S/C10H5N3O/c1-7(4-11)8-2-3-9(13-6-8)10(14)5-12/h2-3,6H,1H2
InChIKeyUNSSUHUJIATLGN-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.32
Rot. Bonds2

About 5-(1-cyanoethenyl)pyridine-2-carbonyl cyanide

5-(1-cyanoethenyl)pyridine-2-carbonyl cyanide (PubChem CID 166919751) has the molecular formula C10H5N3O and a molecular weight of 183.17 g/mol. Its IUPAC name is 5-(1-cyanoethenyl)pyridine-2-carbonyl cyanide.

Molecular Properties

Compound Name5-(1-cyanoethenyl)pyridine-2-carbonyl cyanide
PubChem CID166919751
Molecular FormulaC10H5N3O
Molecular Weight183.17 g/mol
Exact Mass183.04
IUPAC Name5-(1-cyanoethenyl)pyridine-2-carbonyl cyanide
SMILESC=C(C#N)c1ccc(C(=O)C#N)nc1
InChIInChI=1S/C10H5N3O/c1-7(4-11)8-2-3-9(13-6-8)10(14)5-12/h2-3,6H,1H2
InChIKeyUNSSUHUJIATLGN-UHFFFAOYSA-N
XLogP1.32
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyanoethenyl)pyridine-2-carbonyl cyanide?
The IUPAC name of 5-(1-cyanoethenyl)pyridine-2-carbonyl cyanide (CID 166919751) is 5-(1-cyanoethenyl)pyridine-2-carbonyl cyanide.
What is the SMILES notation for 5-(1-cyanoethenyl)pyridine-2-carbonyl cyanide?
The canonical SMILES for 5-(1-cyanoethenyl)pyridine-2-carbonyl cyanide is C=C(C#N)c1ccc(C(=O)C#N)nc1.
What is the InChIKey of 5-(1-cyanoethenyl)pyridine-2-carbonyl cyanide?
The InChIKey is UNSSUHUJIATLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5N3O/c1-7(4-11)8-2-3-9(13-6-8)10(14)5-12/h2-3,6H,1H2.
What are the key properties of 5-(1-cyanoethenyl)pyridine-2-carbonyl cyanide?
5-(1-cyanoethenyl)pyridine-2-carbonyl cyanide has a molecular weight of 183.17 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyanoethenyl)pyridine-2-carbonyl cyanide is sourced from PubChem (CID 166919751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).