2,6-bis(3,5-dichlorophenyl)-4-nitropyridine

C17H8Cl4N2O2 — CID 133087448

IUPAC2,6-bis(3,5-dichlorophenyl)-4-nitropyridine
SMILESO=[N+]([O-])c1cc(-c2cc(Cl)cc(Cl)c2)nc(-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C17H8Cl4N2O2/c18-11-1-9(2-12(19)5-11)16-7-15(23(24)25)8-17(22-16)10-3-13(20)6-14(21)4-10/h1-8H
InChIKeyUGZBQGHAZZOHKE-UHFFFAOYSA-N
MW414.08 g/mol
LogP6.94
Rot. Bonds3

About 2,6-bis(3,5-dichlorophenyl)-4-nitropyridine

2,6-bis(3,5-dichlorophenyl)-4-nitropyridine (PubChem CID 133087448) has the molecular formula C17H8Cl4N2O2 and a molecular weight of 414.08 g/mol. Its IUPAC name is 2,6-bis(3,5-dichlorophenyl)-4-nitropyridine.

Molecular Properties

Compound Name2,6-bis(3,5-dichlorophenyl)-4-nitropyridine
PubChem CID133087448
Molecular FormulaC17H8Cl4N2O2
Molecular Weight414.08 g/mol
Exact Mass411.93
IUPAC Name2,6-bis(3,5-dichlorophenyl)-4-nitropyridine
SMILESO=[N+]([O-])c1cc(-c2cc(Cl)cc(Cl)c2)nc(-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C17H8Cl4N2O2/c18-11-1-9(2-12(19)5-11)16-7-15(23(24)25)8-17(22-16)10-3-13(20)6-14(21)4-10/h1-8H
InChIKeyUGZBQGHAZZOHKE-UHFFFAOYSA-N
XLogP6.94
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.08
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

1-(3,5-dichlorophenyl)-3-fluoro-5-nitrobenzene
CID 134623777
2,6-bis(3-fluorophenyl)-4-nitropyridine
CID 46313659
2-chloro-5-(3-chloro-5-nitrophenyl)-1,3,4-oxadiazole
CID 114770919
(3-chloro-5-nitrophenyl)phosphonic acid
CID 134986189
2-(3-chloro-5-nitrophenyl)-1H-benzimidazole
CID 168553569
2-(3-chlorophenyl)-5-nitropyrimidine
CID 67287515
3-chloro-5-nitro-N-oxidoaniline
CID 145476773
1,2-dichloro-4-nitrobenzene;1,2,3-trichloro-5-nitrobenzene
CID 155677930
4-chloro-2,6-dimethylpyridine;2,4,6-trinitrophenol
CID 172885312
2-amino-4-(3-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5258575
4-(4-nitrophenyl)-2,6-diphenylpyridine
CID 631783
4-chloro-6-(3,5-dichlorophenyl)-2-methylpyrimidine
CID 114879233

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3,5-dichlorophenyl)-4-nitropyridine?
The IUPAC name of 2,6-bis(3,5-dichlorophenyl)-4-nitropyridine (CID 133087448) is 2,6-bis(3,5-dichlorophenyl)-4-nitropyridine.
What is the SMILES notation for 2,6-bis(3,5-dichlorophenyl)-4-nitropyridine?
The canonical SMILES for 2,6-bis(3,5-dichlorophenyl)-4-nitropyridine is O=[N+]([O-])c1cc(-c2cc(Cl)cc(Cl)c2)nc(-c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 2,6-bis(3,5-dichlorophenyl)-4-nitropyridine?
The InChIKey is UGZBQGHAZZOHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8Cl4N2O2/c18-11-1-9(2-12(19)5-11)16-7-15(23(24)25)8-17(22-16)10-3-13(20)6-14(21)4-10/h1-8H.
What are the key properties of 2,6-bis(3,5-dichlorophenyl)-4-nitropyridine?
2,6-bis(3,5-dichlorophenyl)-4-nitropyridine has a molecular weight of 414.08 g/mol, XLogP of 6.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3,5-dichlorophenyl)-4-nitropyridine is sourced from PubChem (CID 133087448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).