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

C17H8Cl4N2O2 — CID 133087521

IUPAC2,6-bis(3,4-dichlorophenyl)-3-nitropyridine
SMILESO=[N+]([O-])c1ccc(-c2ccc(Cl)c(Cl)c2)nc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H8Cl4N2O2/c18-11-3-1-9(7-13(11)20)15-5-6-16(23(24)25)17(22-15)10-2-4-12(19)14(21)8-10/h1-8H
InChIKeyWNMHRKSPBAUNSJ-UHFFFAOYSA-N
MW414.08 g/mol
LogP6.94
Rot. Bonds3

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

2,6-bis(3,4-dichlorophenyl)-3-nitropyridine (PubChem CID 133087521) has the molecular formula C17H8Cl4N2O2 and a molecular weight of 414.08 g/mol. Its IUPAC name is 2,6-bis(3,4-dichlorophenyl)-3-nitropyridine.

Molecular Properties

Compound Name2,6-bis(3,4-dichlorophenyl)-3-nitropyridine
PubChem CID133087521
Molecular FormulaC17H8Cl4N2O2
Molecular Weight414.08 g/mol
Exact Mass411.93
IUPAC Name2,6-bis(3,4-dichlorophenyl)-3-nitropyridine
SMILESO=[N+]([O-])c1ccc(-c2ccc(Cl)c(Cl)c2)nc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H8Cl4N2O2/c18-11-3-1-9(7-13(11)20)15-5-6-16(23(24)25)17(22-15)10-2-4-12(19)14(21)8-10/h1-8H
InChIKeyWNMHRKSPBAUNSJ-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

3-nitro-2,6-bis[3-(trifluoromethyl)phenyl]pyridine
CID 134618277
6-chloro-2-(3,4-difluorophenyl)-3-nitropyridine
CID 79072868
6-methoxy-3-nitro-2-(3,4,5-trichlorophenyl)pyridine
CID 134636387
6-chloro-2-(3-fluoro-4-methylphenyl)-3-nitropyridine
CID 115502582
6-chloro-2-(3-methylphenyl)-3-nitropyridine
CID 79073948
2-[2,6-bis(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 133094362
4-[2-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine
CID 54445074
5-chloro-4-(4-chloro-3-nitrophenyl)-1-(difluoromethyl)-2-methylimidazole
CID 21266798
3-nitro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine
CID 133087465
N'-[4-(4-chloro-3-nitrophenyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 103278956
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 4200583
6-chloro-3-nitro-2-(4-propylphenyl)pyridine
CID 79078917

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3,4-dichlorophenyl)-3-nitropyridine?
The IUPAC name of 2,6-bis(3,4-dichlorophenyl)-3-nitropyridine (CID 133087521) is 2,6-bis(3,4-dichlorophenyl)-3-nitropyridine.
What is the SMILES notation for 2,6-bis(3,4-dichlorophenyl)-3-nitropyridine?
The canonical SMILES for 2,6-bis(3,4-dichlorophenyl)-3-nitropyridine is O=[N+]([O-])c1ccc(-c2ccc(Cl)c(Cl)c2)nc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2,6-bis(3,4-dichlorophenyl)-3-nitropyridine?
The InChIKey is WNMHRKSPBAUNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8Cl4N2O2/c18-11-3-1-9(7-13(11)20)15-5-6-16(23(24)25)17(22-15)10-2-4-12(19)14(21)8-10/h1-8H.
What are the key properties of 2,6-bis(3,4-dichlorophenyl)-3-nitropyridine?
2,6-bis(3,4-dichlorophenyl)-3-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(3,4-dichlorophenyl)-3-nitropyridine is sourced from PubChem (CID 133087521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).