2,3,5,6-tetrachloro-1,4-dinitro-2H-pyridine

C5HCl4N3O4 — CID 19068131

IUPAC2,3,5,6-tetrachloro-1,4-dinitro-2H-pyridine
SMILESO=[N+]([O-])C1=C(Cl)C(Cl)N([N+](=O)[O-])C(Cl)=C1Cl
InChIInChI=1S/C5HCl4N3O4/c6-1-3(11(13)14)2(7)5(9)10(4(1)8)12(15)16/h4H
InChIKeyUSCOAJKQRPEANI-UHFFFAOYSA-N
MW308.89 g/mol
LogP2.43
Rot. Bonds2

About 2,3,5,6-tetrachloro-1,4-dinitro-2H-pyridine

2,3,5,6-tetrachloro-1,4-dinitro-2H-pyridine (PubChem CID 19068131) has the molecular formula C5HCl4N3O4 and a molecular weight of 308.89 g/mol. Its IUPAC name is 2,3,5,6-tetrachloro-1,4-dinitro-2H-pyridine.

Molecular Properties

Compound Name2,3,5,6-tetrachloro-1,4-dinitro-2H-pyridine
PubChem CID19068131
Molecular FormulaC5HCl4N3O4
Molecular Weight308.89 g/mol
Exact Mass306.87
IUPAC Name2,3,5,6-tetrachloro-1,4-dinitro-2H-pyridine
SMILESO=[N+]([O-])C1=C(Cl)C(Cl)N([N+](=O)[O-])C(Cl)=C1Cl
InChIInChI=1S/C5HCl4N3O4/c6-1-3(11(13)14)2(7)5(9)10(4(1)8)12(15)16/h4H
InChIKeyUSCOAJKQRPEANI-UHFFFAOYSA-N
XLogP2.43
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.89
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrachloro-1,4-dinitro-2H-pyridine?
The IUPAC name of 2,3,5,6-tetrachloro-1,4-dinitro-2H-pyridine (CID 19068131) is 2,3,5,6-tetrachloro-1,4-dinitro-2H-pyridine.
What is the SMILES notation for 2,3,5,6-tetrachloro-1,4-dinitro-2H-pyridine?
The canonical SMILES for 2,3,5,6-tetrachloro-1,4-dinitro-2H-pyridine is O=[N+]([O-])C1=C(Cl)C(Cl)N([N+](=O)[O-])C(Cl)=C1Cl.
What is the InChIKey of 2,3,5,6-tetrachloro-1,4-dinitro-2H-pyridine?
The InChIKey is USCOAJKQRPEANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl4N3O4/c6-1-3(11(13)14)2(7)5(9)10(4(1)8)12(15)16/h4H.
What are the key properties of 2,3,5,6-tetrachloro-1,4-dinitro-2H-pyridine?
2,3,5,6-tetrachloro-1,4-dinitro-2H-pyridine has a molecular weight of 308.89 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrachloro-1,4-dinitro-2H-pyridine is sourced from PubChem (CID 19068131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).