5-chloro-2-(3-chloro-4-nitrophenoxy)-3-fluoropyridine

C11H5Cl2FN2O3 — CID 79733624

IUPAC5-chloro-2-(3-chloro-4-nitrophenoxy)-3-fluoropyridine
SMILESO=[N+]([O-])c1ccc(Oc2ncc(Cl)cc2F)cc1Cl
InChIInChI=1S/C11H5Cl2FN2O3/c12-6-3-9(14)11(15-5-6)19-7-1-2-10(16(17)18)8(13)4-7/h1-5H
InChIKeyJQTLIYRIPUIHIY-UHFFFAOYSA-N
MW303.08 g/mol
LogP4.23
Rot. Bonds3

About 5-chloro-2-(3-chloro-4-nitrophenoxy)-3-fluoropyridine

5-chloro-2-(3-chloro-4-nitrophenoxy)-3-fluoropyridine (PubChem CID 79733624) has the molecular formula C11H5Cl2FN2O3 and a molecular weight of 303.08 g/mol. Its IUPAC name is 5-chloro-2-(3-chloro-4-nitrophenoxy)-3-fluoropyridine.

Molecular Properties

Compound Name5-chloro-2-(3-chloro-4-nitrophenoxy)-3-fluoropyridine
PubChem CID79733624
Molecular FormulaC11H5Cl2FN2O3
Molecular Weight303.08 g/mol
Exact Mass301.97
IUPAC Name5-chloro-2-(3-chloro-4-nitrophenoxy)-3-fluoropyridine
SMILESO=[N+]([O-])c1ccc(Oc2ncc(Cl)cc2F)cc1Cl
InChIInChI=1S/C11H5Cl2FN2O3/c12-6-3-9(14)11(15-5-6)19-7-1-2-10(16(17)18)8(13)4-7/h1-5H
InChIKeyJQTLIYRIPUIHIY-UHFFFAOYSA-N
XLogP4.23
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.08
LogP ≤ 54.23
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-chloro-2-(2,6-dichloro-4-nitrophenoxy)-3-fluoropyridine
CID 79733335
4-[(5-chloro-3-nitro-2-pyridinyl)oxy]benzonitrile
CID 59849857
2-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 106502943
4-(3-chloro-4-nitrophenoxy)-6-ethyl-5-fluoropyrimidine
CID 166192494
1-(3-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene
CID 62665261
5-chloro-3-fluoro-2-(2-methyl-5-nitrophenoxy)pyridine
CID 79733934
5-[(3-bromo-5-chloro-2-pyridinyl)oxy]-2-nitrobenzoic acid
CID 107077846
2,4-dichloro-6-(3-chloro-4-nitrophenoxy)-1,3,5-triazine
CID 62857419
3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline
CID 79727242
4-(3-chloro-4-nitrophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332407
2-(3-chloro-4-nitrophenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 76935799

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-chloro-4-nitrophenoxy)-3-fluoropyridine?
The IUPAC name of 5-chloro-2-(3-chloro-4-nitrophenoxy)-3-fluoropyridine (CID 79733624) is 5-chloro-2-(3-chloro-4-nitrophenoxy)-3-fluoropyridine.
What is the SMILES notation for 5-chloro-2-(3-chloro-4-nitrophenoxy)-3-fluoropyridine?
The canonical SMILES for 5-chloro-2-(3-chloro-4-nitrophenoxy)-3-fluoropyridine is O=[N+]([O-])c1ccc(Oc2ncc(Cl)cc2F)cc1Cl.
What is the InChIKey of 5-chloro-2-(3-chloro-4-nitrophenoxy)-3-fluoropyridine?
The InChIKey is JQTLIYRIPUIHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2FN2O3/c12-6-3-9(14)11(15-5-6)19-7-1-2-10(16(17)18)8(13)4-7/h1-5H.
What are the key properties of 5-chloro-2-(3-chloro-4-nitrophenoxy)-3-fluoropyridine?
5-chloro-2-(3-chloro-4-nitrophenoxy)-3-fluoropyridine has a molecular weight of 303.08 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-chloro-4-nitrophenoxy)-3-fluoropyridine is sourced from PubChem (CID 79733624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).