4-(2-chloro-6-nitrophenoxy)-2,3,5,6-tetrafluoropyridine

C11H3ClF4N2O3 — CID 107716626

IUPAC4-(2-chloro-6-nitrophenoxy)-2,3,5,6-tetrafluoropyridine
SMILESO=[N+]([O-])c1cccc(Cl)c1Oc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C11H3ClF4N2O3/c12-4-2-1-3-5(18(19)20)8(4)21-9-6(13)10(15)17-11(16)7(9)14/h1-3H
InChIKeyWEMFMLPTDFCCGX-UHFFFAOYSA-N
MW322.60 g/mol
LogP3.99
Rot. Bonds3

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

4-(2-chloro-6-nitrophenoxy)-2,3,5,6-tetrafluoropyridine (PubChem CID 107716626) has the molecular formula C11H3ClF4N2O3 and a molecular weight of 322.60 g/mol. Its IUPAC name is 4-(2-chloro-6-nitrophenoxy)-2,3,5,6-tetrafluoropyridine.

Molecular Properties

Compound Name4-(2-chloro-6-nitrophenoxy)-2,3,5,6-tetrafluoropyridine
PubChem CID107716626
Molecular FormulaC11H3ClF4N2O3
Molecular Weight322.60 g/mol
Exact Mass321.98
IUPAC Name4-(2-chloro-6-nitrophenoxy)-2,3,5,6-tetrafluoropyridine
SMILESO=[N+]([O-])c1cccc(Cl)c1Oc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C11H3ClF4N2O3/c12-4-2-1-3-5(18(19)20)8(4)21-9-6(13)10(15)17-11(16)7(9)14/h1-3H
InChIKeyWEMFMLPTDFCCGX-UHFFFAOYSA-N
XLogP3.99
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.60
LogP ≤ 53.99
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-4-(2-chloro-6-nitrophenoxy)-6-methylpyrimidine
CID 107716661
2-chloro-3-(2-chloro-6-nitrophenoxy)-5,6-dimethylpyrazine
CID 107716558
(1R)-1-[2-(2-chloro-6-nitrophenoxy)-6-fluorophenyl]ethanamine
CID 107717146
1-chloro-2-(chloromethoxy)-3-nitrobenzene
CID 107715606
2,3,5-trichloro-6-(2-fluoro-6-nitrophenoxy)pyridine
CID 102749797
[4-(2-chloro-6-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 107719446
5-(2-chloro-6-nitrophenoxy)-2-nitroaniline
CID 107719254
1-[4-(2-chloro-6-nitrophenoxy)-3-fluorophenyl]ethanamine
CID 107717151
(1S)-1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanamine
CID 107717188
(1S)-1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanol
CID 107717355
1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanamine
CID 107717189
5-chloro-2-(2-chloro-6-nitrophenoxy)benzaldehyde
CID 107717215

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-nitrophenoxy)-2,3,5,6-tetrafluoropyridine?
The IUPAC name of 4-(2-chloro-6-nitrophenoxy)-2,3,5,6-tetrafluoropyridine (CID 107716626) is 4-(2-chloro-6-nitrophenoxy)-2,3,5,6-tetrafluoropyridine.
What is the SMILES notation for 4-(2-chloro-6-nitrophenoxy)-2,3,5,6-tetrafluoropyridine?
The canonical SMILES for 4-(2-chloro-6-nitrophenoxy)-2,3,5,6-tetrafluoropyridine is O=[N+]([O-])c1cccc(Cl)c1Oc1c(F)c(F)nc(F)c1F.
What is the InChIKey of 4-(2-chloro-6-nitrophenoxy)-2,3,5,6-tetrafluoropyridine?
The InChIKey is WEMFMLPTDFCCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3ClF4N2O3/c12-4-2-1-3-5(18(19)20)8(4)21-9-6(13)10(15)17-11(16)7(9)14/h1-3H.
What are the key properties of 4-(2-chloro-6-nitrophenoxy)-2,3,5,6-tetrafluoropyridine?
4-(2-chloro-6-nitrophenoxy)-2,3,5,6-tetrafluoropyridine has a molecular weight of 322.60 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-nitrophenoxy)-2,3,5,6-tetrafluoropyridine is sourced from PubChem (CID 107716626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).