2-chloro-6-(2,5-dichlorophenoxy)-4-nitropyridine

C11H5Cl3N2O3 — CID 114070718

IUPAC2-chloro-6-(2,5-dichlorophenoxy)-4-nitropyridine
SMILESO=[N+]([O-])c1cc(Cl)nc(Oc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C11H5Cl3N2O3/c12-6-1-2-8(13)9(3-6)19-11-5-7(16(17)18)4-10(14)15-11/h1-5H
InChIKeyNJEJGXIMBVVPFY-UHFFFAOYSA-N
MW319.53 g/mol
LogP4.74
Rot. Bonds3

About 2-chloro-6-(2,5-dichlorophenoxy)-4-nitropyridine

2-chloro-6-(2,5-dichlorophenoxy)-4-nitropyridine (PubChem CID 114070718) has the molecular formula C11H5Cl3N2O3 and a molecular weight of 319.53 g/mol. Its IUPAC name is 2-chloro-6-(2,5-dichlorophenoxy)-4-nitropyridine.

Molecular Properties

Compound Name2-chloro-6-(2,5-dichlorophenoxy)-4-nitropyridine
PubChem CID114070718
Molecular FormulaC11H5Cl3N2O3
Molecular Weight319.53 g/mol
Exact Mass317.94
IUPAC Name2-chloro-6-(2,5-dichlorophenoxy)-4-nitropyridine
SMILESO=[N+]([O-])c1cc(Cl)nc(Oc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C11H5Cl3N2O3/c12-6-1-2-8(13)9(3-6)19-11-5-7(16(17)18)4-10(14)15-11/h1-5H
InChIKeyNJEJGXIMBVVPFY-UHFFFAOYSA-N
XLogP4.74
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.53
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(4-chloro-2-methylphenoxy)-4-nitropyridine
CID 114070725
2-(5-bromo-2-fluorophenoxy)-6-chloro-4-nitropyridine
CID 114070754
2-chloro-6-(4-chloro-3-methylphenoxy)-4-nitropyridine
CID 114070716
2-chloro-6-(5-chloro-2-nitrophenoxy)pyridine
CID 63587633
2-chloro-6-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 61031154
2-chloro-6-[(2-chlorophenyl)methoxy]-4-nitropyridine
CID 114070707
4-(2-chloro-5-nitrophenoxy)pyrimidin-2-amine
CID 80879396
4-(2,5-dichlorophenoxy)-3-nitropyridine
CID 52840234
6-(2-chloro-5-nitrophenoxy)-2-ethylpyrimidin-4-amine
CID 80942269
2-chloro-4-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine
CID 114070745
4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine
CID 78916228
3-chloro-6-(4-chloro-2-nitrophenoxy)pyridine-2-carboxylic acid
CID 29033059

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,5-dichlorophenoxy)-4-nitropyridine?
The IUPAC name of 2-chloro-6-(2,5-dichlorophenoxy)-4-nitropyridine (CID 114070718) is 2-chloro-6-(2,5-dichlorophenoxy)-4-nitropyridine.
What is the SMILES notation for 2-chloro-6-(2,5-dichlorophenoxy)-4-nitropyridine?
The canonical SMILES for 2-chloro-6-(2,5-dichlorophenoxy)-4-nitropyridine is O=[N+]([O-])c1cc(Cl)nc(Oc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 2-chloro-6-(2,5-dichlorophenoxy)-4-nitropyridine?
The InChIKey is NJEJGXIMBVVPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3N2O3/c12-6-1-2-8(13)9(3-6)19-11-5-7(16(17)18)4-10(14)15-11/h1-5H.
What are the key properties of 2-chloro-6-(2,5-dichlorophenoxy)-4-nitropyridine?
2-chloro-6-(2,5-dichlorophenoxy)-4-nitropyridine has a molecular weight of 319.53 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,5-dichlorophenoxy)-4-nitropyridine is sourced from PubChem (CID 114070718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).