5-chloro-1-(2,6-dinitrophenyl)-2H-pyridine

C11H8ClN3O4 — CID 54423093

IUPAC5-chloro-1-(2,6-dinitrophenyl)-2H-pyridine
SMILESO=[N+]([O-])c1cccc([N+](=O)[O-])c1N1C=C(Cl)C=CC1
InChIInChI=1S/C11H8ClN3O4/c12-8-3-2-6-13(7-8)11-9(14(16)17)4-1-5-10(11)15(18)19/h1-5,7H,6H2
InChIKeyWCEGSOKFGCBGIE-UHFFFAOYSA-N
MW281.65 g/mol
LogP2.96
Rot. Bonds3

About 5-chloro-1-(2,6-dinitrophenyl)-2H-pyridine

5-chloro-1-(2,6-dinitrophenyl)-2H-pyridine (PubChem CID 54423093) has the molecular formula C11H8ClN3O4 and a molecular weight of 281.65 g/mol. Its IUPAC name is 5-chloro-1-(2,6-dinitrophenyl)-2H-pyridine.

Molecular Properties

Compound Name5-chloro-1-(2,6-dinitrophenyl)-2H-pyridine
PubChem CID54423093
Molecular FormulaC11H8ClN3O4
Molecular Weight281.65 g/mol
Exact Mass281.02
IUPAC Name5-chloro-1-(2,6-dinitrophenyl)-2H-pyridine
SMILESO=[N+]([O-])c1cccc([N+](=O)[O-])c1N1C=C(Cl)C=CC1
InChIInChI=1S/C11H8ClN3O4/c12-8-3-2-6-13(7-8)11-9(14(16)17)4-1-5-10(11)15(18)19/h1-5,7H,6H2
InChIKeyWCEGSOKFGCBGIE-UHFFFAOYSA-N
XLogP2.96
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.65
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2,6-dinitrophenyl)-2H-pyridine?
The IUPAC name of 5-chloro-1-(2,6-dinitrophenyl)-2H-pyridine (CID 54423093) is 5-chloro-1-(2,6-dinitrophenyl)-2H-pyridine.
What is the SMILES notation for 5-chloro-1-(2,6-dinitrophenyl)-2H-pyridine?
The canonical SMILES for 5-chloro-1-(2,6-dinitrophenyl)-2H-pyridine is O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1C=C(Cl)C=CC1.
What is the InChIKey of 5-chloro-1-(2,6-dinitrophenyl)-2H-pyridine?
The InChIKey is WCEGSOKFGCBGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O4/c12-8-3-2-6-13(7-8)11-9(14(16)17)4-1-5-10(11)15(18)19/h1-5,7H,6H2.
What are the key properties of 5-chloro-1-(2,6-dinitrophenyl)-2H-pyridine?
5-chloro-1-(2,6-dinitrophenyl)-2H-pyridine has a molecular weight of 281.65 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2,6-dinitrophenyl)-2H-pyridine is sourced from PubChem (CID 54423093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).