2-(5-bromo-2-fluorophenoxy)-6-chloro-4-nitropyridine

C11H5BrClFN2O3 — CID 114070754

IUPAC2-(5-bromo-2-fluorophenoxy)-6-chloro-4-nitropyridine
SMILESO=[N+]([O-])c1cc(Cl)nc(Oc2cc(Br)ccc2F)c1
InChIInChI=1S/C11H5BrClFN2O3/c12-6-1-2-8(14)9(3-6)19-11-5-7(16(17)18)4-10(13)15-11/h1-5H
InChIKeyGIEWFVZKVUAPQS-UHFFFAOYSA-N
MW347.53 g/mol
LogP4.34
Rot. Bonds3

About 2-(5-bromo-2-fluorophenoxy)-6-chloro-4-nitropyridine

2-(5-bromo-2-fluorophenoxy)-6-chloro-4-nitropyridine (PubChem CID 114070754) has the molecular formula C11H5BrClFN2O3 and a molecular weight of 347.53 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenoxy)-6-chloro-4-nitropyridine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenoxy)-6-chloro-4-nitropyridine
PubChem CID114070754
Molecular FormulaC11H5BrClFN2O3
Molecular Weight347.53 g/mol
Exact Mass345.92
IUPAC Name2-(5-bromo-2-fluorophenoxy)-6-chloro-4-nitropyridine
SMILESO=[N+]([O-])c1cc(Cl)nc(Oc2cc(Br)ccc2F)c1
InChIInChI=1S/C11H5BrClFN2O3/c12-6-1-2-8(14)9(3-6)19-11-5-7(16(17)18)4-10(13)15-11/h1-5H
InChIKeyGIEWFVZKVUAPQS-UHFFFAOYSA-N
XLogP4.34
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 54.34
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-6-(2,5-dichlorophenoxy)-4-nitropyridine
CID 114070718
2-chloro-6-(4-chloro-2-methylphenoxy)-4-nitropyridine
CID 114070725
2-(5-bromo-2-fluorophenyl)-6-chloro-4-nitropyridine
CID 114070936
4-bromo-1-fluoro-2-(2-nitrophenoxy)benzene
CID 114673157
4-(5-bromo-2-fluorophenoxy)-2-methyl-1H-pyrimidin-6-one
CID 114673213
1-(5-bromo-2-fluorophenoxy)-4-(chloromethyl)-2-nitrobenzene
CID 114674041
2-chloro-6-(4-chloro-3-methylphenoxy)-4-nitropyridine
CID 114070716
1-[(5-bromo-2-fluorophenoxy)methyl]-2-chloro-4-nitrobenzene
CID 114672979
4-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyrimidin-2-amine
CID 80740183
2-(5-bromo-2-fluorophenoxy)-6-fluoropyridine
CID 114672244
1-(5-bromo-2-fluorophenoxy)-3-methoxy-2-nitrobenzene
CID 114673044
4-bromo-1-fluoro-2-(4-iodo-2-nitrophenoxy)benzene
CID 114673280

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenoxy)-6-chloro-4-nitropyridine?
The IUPAC name of 2-(5-bromo-2-fluorophenoxy)-6-chloro-4-nitropyridine (CID 114070754) is 2-(5-bromo-2-fluorophenoxy)-6-chloro-4-nitropyridine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenoxy)-6-chloro-4-nitropyridine?
The canonical SMILES for 2-(5-bromo-2-fluorophenoxy)-6-chloro-4-nitropyridine is O=[N+]([O-])c1cc(Cl)nc(Oc2cc(Br)ccc2F)c1.
What is the InChIKey of 2-(5-bromo-2-fluorophenoxy)-6-chloro-4-nitropyridine?
The InChIKey is GIEWFVZKVUAPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClFN2O3/c12-6-1-2-8(14)9(3-6)19-11-5-7(16(17)18)4-10(13)15-11/h1-5H.
What are the key properties of 2-(5-bromo-2-fluorophenoxy)-6-chloro-4-nitropyridine?
2-(5-bromo-2-fluorophenoxy)-6-chloro-4-nitropyridine has a molecular weight of 347.53 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenoxy)-6-chloro-4-nitropyridine is sourced from PubChem (CID 114070754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).