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

C17H8Cl4N2O2 — CID 133087508

IUPAC2,5-bis(2,6-dichlorophenyl)-3-nitropyridine
SMILESO=[N+]([O-])c1cc(-c2c(Cl)cccc2Cl)cnc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H8Cl4N2O2/c18-10-3-1-4-11(19)15(10)9-7-14(23(24)25)17(22-8-9)16-12(20)5-2-6-13(16)21/h1-8H
InChIKeyLOUCFQWPEXMYEZ-UHFFFAOYSA-N
MW414.08 g/mol
LogP6.94
Rot. Bonds3

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

2,5-bis(2,6-dichlorophenyl)-3-nitropyridine (PubChem CID 133087508) has the molecular formula C17H8Cl4N2O2 and a molecular weight of 414.08 g/mol. Its IUPAC name is 2,5-bis(2,6-dichlorophenyl)-3-nitropyridine.

Molecular Properties

Compound Name2,5-bis(2,6-dichlorophenyl)-3-nitropyridine
PubChem CID133087508
Molecular FormulaC17H8Cl4N2O2
Molecular Weight414.08 g/mol
Exact Mass411.93
IUPAC Name2,5-bis(2,6-dichlorophenyl)-3-nitropyridine
SMILESO=[N+]([O-])c1cc(-c2c(Cl)cccc2Cl)cnc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H8Cl4N2O2/c18-10-3-1-4-11(19)15(10)9-7-14(23(24)25)17(22-8-9)16-12(20)5-2-6-13(16)21/h1-8H
InChIKeyLOUCFQWPEXMYEZ-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

5-(2,6-dichlorophenyl)-2-methoxy-3-nitropyridine
CID 133087485
2,3-dichloro-5-(2,6-dichlorophenyl)pyridine
CID 118826487
1,3,5-trichloro-2-(2-chloro-6-nitrophenyl)benzene
CID 134621032
5-chloro-3-nitro-2-pyridin-3-ylpyridine
CID 46315358
5-(2-chloro-6-fluorophenyl)-2-nitropyridine
CID 165487980
2-[2-(2-chloro-6-nitrophenyl)phenyl]naphthalene
CID 171044125
2-[5-(2,3-dichlorophenyl)-3-nitro-2-pyridinyl]acetic acid
CID 133087430
2-chloro-3-nitro-5-(2,3,5-trichlorophenyl)pyridine
CID 119024598
3,5-dinitro-2-phenylpyridine
CID 14948543
4-(2,3-dichlorophenyl)-2-nitrophenol
CID 53221696
1-(2,6-dichlorophenyl)-2-fluoro-3-nitrobenzene
CID 119007627
1-chloro-2-(chloromethoxy)-3-nitrobenzene
CID 107715606

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2,6-dichlorophenyl)-3-nitropyridine?
The IUPAC name of 2,5-bis(2,6-dichlorophenyl)-3-nitropyridine (CID 133087508) is 2,5-bis(2,6-dichlorophenyl)-3-nitropyridine.
What is the SMILES notation for 2,5-bis(2,6-dichlorophenyl)-3-nitropyridine?
The canonical SMILES for 2,5-bis(2,6-dichlorophenyl)-3-nitropyridine is O=[N+]([O-])c1cc(-c2c(Cl)cccc2Cl)cnc1-c1c(Cl)cccc1Cl.
What is the InChIKey of 2,5-bis(2,6-dichlorophenyl)-3-nitropyridine?
The InChIKey is LOUCFQWPEXMYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8Cl4N2O2/c18-10-3-1-4-11(19)15(10)9-7-14(23(24)25)17(22-8-9)16-12(20)5-2-6-13(16)21/h1-8H.
What are the key properties of 2,5-bis(2,6-dichlorophenyl)-3-nitropyridine?
2,5-bis(2,6-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 2,5-bis(2,6-dichlorophenyl)-3-nitropyridine is sourced from PubChem (CID 133087508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).