4-(2-fluoro-4-nitrophenoxy)-3-iodopyridine

C11H6FIN2O3 — CID 59852937

IUPAC4-(2-fluoro-4-nitrophenoxy)-3-iodopyridine
SMILESO=[N+]([O-])c1ccc(Oc2ccncc2I)c(F)c1
InChIInChI=1S/C11H6FIN2O3/c12-8-5-7(15(16)17)1-2-10(8)18-11-3-4-14-6-9(11)13/h1-6H
InChIKeyQNEKGFISKDADQI-UHFFFAOYSA-N
MW360.08 g/mol
LogP3.53
Rot. Bonds3

About 4-(2-fluoro-4-nitrophenoxy)-3-iodopyridine

4-(2-fluoro-4-nitrophenoxy)-3-iodopyridine (PubChem CID 59852937) has the molecular formula C11H6FIN2O3 and a molecular weight of 360.08 g/mol. Its IUPAC name is 4-(2-fluoro-4-nitrophenoxy)-3-iodopyridine.

Molecular Properties

Compound Name4-(2-fluoro-4-nitrophenoxy)-3-iodopyridine
PubChem CID59852937
Molecular FormulaC11H6FIN2O3
Molecular Weight360.08 g/mol
Exact Mass359.94
IUPAC Name4-(2-fluoro-4-nitrophenoxy)-3-iodopyridine
SMILESO=[N+]([O-])c1ccc(Oc2ccncc2I)c(F)c1
InChIInChI=1S/C11H6FIN2O3/c12-8-5-7(15(16)17)1-2-10(8)18-11-3-4-14-6-9(11)13/h1-6H
InChIKeyQNEKGFISKDADQI-UHFFFAOYSA-N
XLogP3.53
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.08
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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

ethane;3-iodo-4-(4-nitrophenoxy)pyridine
CID 91494066
3-[4-(2-fluoro-4-nitrophenoxy)-3-pyridinyl]prop-2-enoic acid
CID 66917538
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
1-[4-[4-(2-fluoro-4-nitrophenoxy)-3-pyridinyl]phenyl]piperazine
CID 151198371
6-chloro-4-(2-fluoro-4-nitrophenoxy)-1,7-naphthyridine
CID 156871736
2-(2-fluoro-4-nitrophenoxy)phenol
CID 60869522
4-(2-fluoro-4-nitrophenoxy)-1-methylpyrazolo[3,4-b]pyridine
CID 68515325
4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline
CID 134392084
1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene
CID 101232592
CID 89281854
CID 89281854
2-bromo-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine
CID 59424521
1-[3-fluoro-4-(2-fluoro-4-nitrophenoxy)phenyl]ethanol
CID 61038214

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-nitrophenoxy)-3-iodopyridine?
The IUPAC name of 4-(2-fluoro-4-nitrophenoxy)-3-iodopyridine (CID 59852937) is 4-(2-fluoro-4-nitrophenoxy)-3-iodopyridine.
What is the SMILES notation for 4-(2-fluoro-4-nitrophenoxy)-3-iodopyridine?
The canonical SMILES for 4-(2-fluoro-4-nitrophenoxy)-3-iodopyridine is O=[N+]([O-])c1ccc(Oc2ccncc2I)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-nitrophenoxy)-3-iodopyridine?
The InChIKey is QNEKGFISKDADQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FIN2O3/c12-8-5-7(15(16)17)1-2-10(8)18-11-3-4-14-6-9(11)13/h1-6H.
What are the key properties of 4-(2-fluoro-4-nitrophenoxy)-3-iodopyridine?
4-(2-fluoro-4-nitrophenoxy)-3-iodopyridine has a molecular weight of 360.08 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-nitrophenoxy)-3-iodopyridine is sourced from PubChem (CID 59852937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).