5-chloro-2-(2,6-dichloro-4-nitrophenoxy)-3-fluoropyridine

C11H4Cl3FN2O3 — CID 79733335

IUPAC5-chloro-2-(2,6-dichloro-4-nitrophenoxy)-3-fluoropyridine
SMILESO=[N+]([O-])c1cc(Cl)c(Oc2ncc(Cl)cc2F)c(Cl)c1
InChIInChI=1S/C11H4Cl3FN2O3/c12-5-1-9(15)11(16-4-5)20-10-7(13)2-6(17(18)19)3-8(10)14/h1-4H
InChIKeyPRESLBPTKGOFOE-UHFFFAOYSA-N
MW337.52 g/mol
LogP4.88
Rot. Bonds3

About 5-chloro-2-(2,6-dichloro-4-nitrophenoxy)-3-fluoropyridine

5-chloro-2-(2,6-dichloro-4-nitrophenoxy)-3-fluoropyridine (PubChem CID 79733335) has the molecular formula C11H4Cl3FN2O3 and a molecular weight of 337.52 g/mol. Its IUPAC name is 5-chloro-2-(2,6-dichloro-4-nitrophenoxy)-3-fluoropyridine.

Molecular Properties

Compound Name5-chloro-2-(2,6-dichloro-4-nitrophenoxy)-3-fluoropyridine
PubChem CID79733335
Molecular FormulaC11H4Cl3FN2O3
Molecular Weight337.52 g/mol
Exact Mass335.93
IUPAC Name5-chloro-2-(2,6-dichloro-4-nitrophenoxy)-3-fluoropyridine
SMILESO=[N+]([O-])c1cc(Cl)c(Oc2ncc(Cl)cc2F)c(Cl)c1
InChIInChI=1S/C11H4Cl3FN2O3/c12-5-1-9(15)11(16-4-5)20-10-7(13)2-6(17(18)19)3-8(10)14/h1-4H
InChIKeyPRESLBPTKGOFOE-UHFFFAOYSA-N
XLogP4.88
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.52
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-chloro-3-fluoro-2-(4-nitrophenoxy)pyridine
CID 79728734
5-bromo-3-chloro-2-(2,6-dichloro-4-nitrophenoxy)pyridine
CID 103583685
5-chloro-3-fluoro-2-(2-methyl-5-nitrophenoxy)pyridine
CID 79733934
5-chloro-2-(3-chloro-4-nitrophenoxy)-3-fluoropyridine
CID 79733624
4-(2,6-dichloro-4-nitrophenoxy)-5,8-difluoro-2H-phthalazin-1-one
CID 169146559
2,3,5-trichloro-6-(2,6-dichloro-4-nitrophenoxy)pyridine
CID 102749646
2-(3-bromo-4-fluorophenoxy)-1,3-dichloro-5-nitrobenzene
CID 106891272
5-chloro-2-(2-fluoro-6-methyl-4-nitrophenoxy)pyrimidine
CID 168937911
[4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80920125
2-chloro-4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyridine
CID 83269017
4-(2,6-dichloro-4-nitrophenoxy)-3-fluorobenzaldehyde
CID 62098122
2-chloro-6-(2,6-dichloro-4-nitrophenoxy)pyrazine
CID 62097953

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,6-dichloro-4-nitrophenoxy)-3-fluoropyridine?
The IUPAC name of 5-chloro-2-(2,6-dichloro-4-nitrophenoxy)-3-fluoropyridine (CID 79733335) is 5-chloro-2-(2,6-dichloro-4-nitrophenoxy)-3-fluoropyridine.
What is the SMILES notation for 5-chloro-2-(2,6-dichloro-4-nitrophenoxy)-3-fluoropyridine?
The canonical SMILES for 5-chloro-2-(2,6-dichloro-4-nitrophenoxy)-3-fluoropyridine is O=[N+]([O-])c1cc(Cl)c(Oc2ncc(Cl)cc2F)c(Cl)c1.
What is the InChIKey of 5-chloro-2-(2,6-dichloro-4-nitrophenoxy)-3-fluoropyridine?
The InChIKey is PRESLBPTKGOFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl3FN2O3/c12-5-1-9(15)11(16-4-5)20-10-7(13)2-6(17(18)19)3-8(10)14/h1-4H.
What are the key properties of 5-chloro-2-(2,6-dichloro-4-nitrophenoxy)-3-fluoropyridine?
5-chloro-2-(2,6-dichloro-4-nitrophenoxy)-3-fluoropyridine has a molecular weight of 337.52 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,6-dichloro-4-nitrophenoxy)-3-fluoropyridine is sourced from PubChem (CID 79733335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).