2-bromo-6-(2-chloro-4-nitrophenoxy)pyridine

C11H6BrClN2O3 — CID 63963412

IUPAC2-bromo-6-(2-chloro-4-nitrophenoxy)pyridine
SMILESO=[N+]([O-])c1ccc(Oc2cccc(Br)n2)c(Cl)c1
InChIInChI=1S/C11H6BrClN2O3/c12-10-2-1-3-11(14-10)18-9-5-4-7(15(16)17)6-8(9)13/h1-6H
InChIKeyRPLJHNCKTMHWDN-UHFFFAOYSA-N
MW329.54 g/mol
LogP4.20
Rot. Bonds3

About 2-bromo-6-(2-chloro-4-nitrophenoxy)pyridine

2-bromo-6-(2-chloro-4-nitrophenoxy)pyridine (PubChem CID 63963412) has the molecular formula C11H6BrClN2O3 and a molecular weight of 329.54 g/mol. Its IUPAC name is 2-bromo-6-(2-chloro-4-nitrophenoxy)pyridine.

Molecular Properties

Compound Name2-bromo-6-(2-chloro-4-nitrophenoxy)pyridine
PubChem CID63963412
Molecular FormulaC11H6BrClN2O3
Molecular Weight329.54 g/mol
Exact Mass327.93
IUPAC Name2-bromo-6-(2-chloro-4-nitrophenoxy)pyridine
SMILESO=[N+]([O-])c1ccc(Oc2cccc(Br)n2)c(Cl)c1
InChIInChI=1S/C11H6BrClN2O3/c12-10-2-1-3-11(14-10)18-9-5-4-7(15(16)17)6-8(9)13/h1-6H
InChIKeyRPLJHNCKTMHWDN-UHFFFAOYSA-N
XLogP4.20
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.54
LogP ≤ 54.20
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-bromo-6-(2-methoxy-4-nitrophenoxy)pyridine
CID 63961925
2-bromo-6-(4-chloro-2-nitrophenoxy)pyridine
CID 63961282
1,3-dichloro-2-(2-chloro-4-nitrophenoxy)benzene
CID 2794565
2-chloro-1-(2,4-dibromophenoxy)-4-nitrobenzene
CID 5161397
2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
CID 2726875
6-(2-chloro-4-nitrophenoxy)pyridin-3-amine
CID 114049044
3-(2-chloro-4-nitrophenoxy)-1-methylpyrazole
CID 166540212
[6-(2-chloro-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920687
2-chloro-6-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 61031154
2-bromo-1-(2-chloro-4-nitrophenoxy)-4-methylbenzene
CID 29032684
2-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyridine
CID 63587249
1-(2-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene
CID 62665251

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(2-chloro-4-nitrophenoxy)pyridine?
The IUPAC name of 2-bromo-6-(2-chloro-4-nitrophenoxy)pyridine (CID 63963412) is 2-bromo-6-(2-chloro-4-nitrophenoxy)pyridine.
What is the SMILES notation for 2-bromo-6-(2-chloro-4-nitrophenoxy)pyridine?
The canonical SMILES for 2-bromo-6-(2-chloro-4-nitrophenoxy)pyridine is O=[N+]([O-])c1ccc(Oc2cccc(Br)n2)c(Cl)c1.
What is the InChIKey of 2-bromo-6-(2-chloro-4-nitrophenoxy)pyridine?
The InChIKey is RPLJHNCKTMHWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClN2O3/c12-10-2-1-3-11(14-10)18-9-5-4-7(15(16)17)6-8(9)13/h1-6H.
What are the key properties of 2-bromo-6-(2-chloro-4-nitrophenoxy)pyridine?
2-bromo-6-(2-chloro-4-nitrophenoxy)pyridine has a molecular weight of 329.54 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(2-chloro-4-nitrophenoxy)pyridine is sourced from PubChem (CID 63963412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).