oxalonitrile;2,3,4,5-tetrachloropyridine

C7HCl4N3 — CID 175434253

IUPACoxalonitrile;2,3,4,5-tetrachloropyridine
SMILESClc1cnc(Cl)c(Cl)c1Cl.N#CC#N
InChIInChI=1S/C5HCl4N.C2N2/c6-2-1-10-5(9)4(8)3(2)7;3-1-2-4/h1H;
InChIKeyDMWJYBWYJPGONP-UHFFFAOYSA-N
MW268.92 g/mol
LogP3.73
Rot. Bonds

About oxalonitrile;2,3,4,5-tetrachloropyridine

oxalonitrile;2,3,4,5-tetrachloropyridine (PubChem CID 175434253) has the molecular formula C7HCl4N3 and a molecular weight of 268.92 g/mol. Its IUPAC name is oxalonitrile;2,3,4,5-tetrachloropyridine.

Molecular Properties

Compound Nameoxalonitrile;2,3,4,5-tetrachloropyridine
PubChem CID175434253
Molecular FormulaC7HCl4N3
Molecular Weight268.92 g/mol
Exact Mass266.89
IUPAC Nameoxalonitrile;2,3,4,5-tetrachloropyridine
SMILESClc1cnc(Cl)c(Cl)c1Cl.N#CC#N
InChIInChI=1S/C5HCl4N.C2N2/c6-2-1-10-5(9)4(8)3(2)7;3-1-2-4/h1H;
InChIKeyDMWJYBWYJPGONP-UHFFFAOYSA-N
XLogP3.73
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.92
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxalonitrile;2,3,4,5-tetrachloropyridine?
The IUPAC name of oxalonitrile;2,3,4,5-tetrachloropyridine (CID 175434253) is oxalonitrile;2,3,4,5-tetrachloropyridine.
What is the SMILES notation for oxalonitrile;2,3,4,5-tetrachloropyridine?
The canonical SMILES for oxalonitrile;2,3,4,5-tetrachloropyridine is Clc1cnc(Cl)c(Cl)c1Cl.N#CC#N.
What is the InChIKey of oxalonitrile;2,3,4,5-tetrachloropyridine?
The InChIKey is DMWJYBWYJPGONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl4N.C2N2/c6-2-1-10-5(9)4(8)3(2)7;3-1-2-4/h1H;.
What are the key properties of oxalonitrile;2,3,4,5-tetrachloropyridine?
oxalonitrile;2,3,4,5-tetrachloropyridine has a molecular weight of 268.92 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxalonitrile;2,3,4,5-tetrachloropyridine is sourced from PubChem (CID 175434253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).