2,3,5-trichloro-6-(2,6-dichloro-4-nitrophenoxy)pyridine

C11H3Cl5N2O3 — CID 102749646

IUPAC2,3,5-trichloro-6-(2,6-dichloro-4-nitrophenoxy)pyridine
SMILESO=[N+]([O-])c1cc(Cl)c(Oc2nc(Cl)c(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C11H3Cl5N2O3/c12-5-1-4(18(19)20)2-6(13)9(5)21-11-8(15)3-7(14)10(16)17-11/h1-3H
InChIKeySAYJUOKZEVIFPE-UHFFFAOYSA-N
MW388.42 g/mol
LogP6.05
Rot. Bonds3

About 2,3,5-trichloro-6-(2,6-dichloro-4-nitrophenoxy)pyridine

2,3,5-trichloro-6-(2,6-dichloro-4-nitrophenoxy)pyridine (PubChem CID 102749646) has the molecular formula C11H3Cl5N2O3 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2,3,5-trichloro-6-(2,6-dichloro-4-nitrophenoxy)pyridine.

Molecular Properties

Compound Name2,3,5-trichloro-6-(2,6-dichloro-4-nitrophenoxy)pyridine
PubChem CID102749646
Molecular FormulaC11H3Cl5N2O3
Molecular Weight388.42 g/mol
Exact Mass385.86
IUPAC Name2,3,5-trichloro-6-(2,6-dichloro-4-nitrophenoxy)pyridine
SMILESO=[N+]([O-])c1cc(Cl)c(Oc2nc(Cl)c(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C11H3Cl5N2O3/c12-5-1-4(18(19)20)2-6(13)9(5)21-11-8(15)3-7(14)10(16)17-11/h1-3H
InChIKeySAYJUOKZEVIFPE-UHFFFAOYSA-N
XLogP6.05
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.42
LogP ≤ 56.05
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-(2,6-dichloro-4-nitrophenoxy)pyrazine
CID 62097953
5-bromo-3-chloro-2-(2,6-dichloro-4-nitrophenoxy)pyridine
CID 103583685
2,3,5-trichloro-6-(2-fluoro-6-nitrophenoxy)pyridine
CID 102749797
5-chloro-2-(2,6-dichloro-4-nitrophenoxy)-3-fluoropyridine
CID 79733335
2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine
CID 102749610
6-(2,6-dichloro-4-nitrophenoxy)pyrimidine-2,4-diamine
CID 80873263
[4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80920125
4-chloro-6-(2,6-dichloro-4-nitrophenoxy)-2-methylsulfanylpyrimidine
CID 80542312
2,5-dichloro-4-(2,6-dibromo-4-nitrophenoxy)pyrimidine
CID 79633381
4-(2,6-dichloro-4-nitrophenoxy)aniline
CID 106891919
2-(2-bromo-3-nitrophenoxy)-3,5,6-trichloropyridine
CID 102749806
(2,6-dichloro-4-nitrophenyl) hydrogen phosphate
CID 4205027

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-6-(2,6-dichloro-4-nitrophenoxy)pyridine?
The IUPAC name of 2,3,5-trichloro-6-(2,6-dichloro-4-nitrophenoxy)pyridine (CID 102749646) is 2,3,5-trichloro-6-(2,6-dichloro-4-nitrophenoxy)pyridine.
What is the SMILES notation for 2,3,5-trichloro-6-(2,6-dichloro-4-nitrophenoxy)pyridine?
The canonical SMILES for 2,3,5-trichloro-6-(2,6-dichloro-4-nitrophenoxy)pyridine is O=[N+]([O-])c1cc(Cl)c(Oc2nc(Cl)c(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of 2,3,5-trichloro-6-(2,6-dichloro-4-nitrophenoxy)pyridine?
The InChIKey is SAYJUOKZEVIFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3Cl5N2O3/c12-5-1-4(18(19)20)2-6(13)9(5)21-11-8(15)3-7(14)10(16)17-11/h1-3H.
What are the key properties of 2,3,5-trichloro-6-(2,6-dichloro-4-nitrophenoxy)pyridine?
2,3,5-trichloro-6-(2,6-dichloro-4-nitrophenoxy)pyridine has a molecular weight of 388.42 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-6-(2,6-dichloro-4-nitrophenoxy)pyridine is sourced from PubChem (CID 102749646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).