2,3,5-trichloro-6-(2-fluoro-6-nitrophenoxy)pyridine

C11H4Cl3FN2O3 — CID 102749797

IUPAC2,3,5-trichloro-6-(2-fluoro-6-nitrophenoxy)pyridine
SMILESO=[N+]([O-])c1cccc(F)c1Oc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H4Cl3FN2O3/c12-5-4-6(13)11(16-10(5)14)20-9-7(15)2-1-3-8(9)17(18)19/h1-4H
InChIKeyHTGQVZKQESKRCA-UHFFFAOYSA-N
MW337.52 g/mol
LogP4.88
Rot. Bonds3

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

2,3,5-trichloro-6-(2-fluoro-6-nitrophenoxy)pyridine (PubChem CID 102749797) has the molecular formula C11H4Cl3FN2O3 and a molecular weight of 337.52 g/mol. Its IUPAC name is 2,3,5-trichloro-6-(2-fluoro-6-nitrophenoxy)pyridine.

Molecular Properties

Compound Name2,3,5-trichloro-6-(2-fluoro-6-nitrophenoxy)pyridine
PubChem CID102749797
Molecular FormulaC11H4Cl3FN2O3
Molecular Weight337.52 g/mol
Exact Mass335.93
IUPAC Name2,3,5-trichloro-6-(2-fluoro-6-nitrophenoxy)pyridine
SMILESO=[N+]([O-])c1cccc(F)c1Oc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H4Cl3FN2O3/c12-5-4-6(13)11(16-10(5)14)20-9-7(15)2-1-3-8(9)17(18)19/h1-4H
InChIKeyHTGQVZKQESKRCA-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,3,5-trichloro-6-(2-fluoro-6-nitrophenoxy)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-6-(2-fluoro-6-nitrophenoxy)-N-methylpyridin-2-amine
CID 102761161
2-(2-bromo-3-nitrophenoxy)-3,5,6-trichloropyridine
CID 102749806
4-chloro-5-(chloromethyl)-6-(2-fluoro-6-nitrophenoxy)pyrimidine
CID 107089174
2,3,5-trichloro-6-(2,6-dichloro-4-nitrophenoxy)pyridine
CID 102749646
4-chloro-6-(2-fluoro-6-nitrophenoxy)-5-propylpyrimidine
CID 104831666
2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine
CID 102749610
3-chloro-4-(2-fluoro-6-nitrophenoxy)benzonitrile
CID 104831691
2-chloro-6-(2-fluoro-6-nitrophenoxy)benzoic acid
CID 104831894
3-(2-fluoro-6-nitrophenoxy)pyridazine-4-carboxylic acid
CID 104832433
3-chloro-2-(2-fluoro-6-nitrophenoxy)pyridine-4-carboximidamide
CID 107060656
2-chloro-3-(2-chloro-6-nitrophenoxy)-5,6-dimethylpyrazine
CID 107716558
(1S)-1-[3-chloro-4-(2-fluoro-6-nitrophenoxy)phenyl]ethanol
CID 104831920

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-6-(2-fluoro-6-nitrophenoxy)pyridine?
The IUPAC name of 2,3,5-trichloro-6-(2-fluoro-6-nitrophenoxy)pyridine (CID 102749797) is 2,3,5-trichloro-6-(2-fluoro-6-nitrophenoxy)pyridine.
What is the SMILES notation for 2,3,5-trichloro-6-(2-fluoro-6-nitrophenoxy)pyridine?
The canonical SMILES for 2,3,5-trichloro-6-(2-fluoro-6-nitrophenoxy)pyridine is O=[N+]([O-])c1cccc(F)c1Oc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2,3,5-trichloro-6-(2-fluoro-6-nitrophenoxy)pyridine?
The InChIKey is HTGQVZKQESKRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl3FN2O3/c12-5-4-6(13)11(16-10(5)14)20-9-7(15)2-1-3-8(9)17(18)19/h1-4H.
What are the key properties of 2,3,5-trichloro-6-(2-fluoro-6-nitrophenoxy)pyridine?
2,3,5-trichloro-6-(2-fluoro-6-nitrophenoxy)pyridine 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 2,3,5-trichloro-6-(2-fluoro-6-nitrophenoxy)pyridine is sourced from PubChem (CID 102749797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).