3-bromo-2-(2-nitrophenoxy)pyridine

C11H7BrN2O3 — CID 61373940

IUPAC3-bromo-2-(2-nitrophenoxy)pyridine
SMILESO=[N+]([O-])c1ccccc1Oc1ncccc1Br
InChIInChI=1S/C11H7BrN2O3/c12-8-4-3-7-13-11(8)17-10-6-2-1-5-9(10)14(15)16/h1-7H
InChIKeyJHPKMRPPBHCWDP-UHFFFAOYSA-N
MW295.09 g/mol
LogP3.54
Rot. Bonds3

About 3-bromo-2-(2-nitrophenoxy)pyridine

3-bromo-2-(2-nitrophenoxy)pyridine (PubChem CID 61373940) has the molecular formula C11H7BrN2O3 and a molecular weight of 295.09 g/mol. Its IUPAC name is 3-bromo-2-(2-nitrophenoxy)pyridine.

Molecular Properties

Compound Name3-bromo-2-(2-nitrophenoxy)pyridine
PubChem CID61373940
Molecular FormulaC11H7BrN2O3
Molecular Weight295.09 g/mol
Exact Mass293.96
IUPAC Name3-bromo-2-(2-nitrophenoxy)pyridine
SMILESO=[N+]([O-])c1ccccc1Oc1ncccc1Br
InChIInChI=1S/C11H7BrN2O3/c12-8-4-3-7-13-11(8)17-10-6-2-1-5-9(10)14(15)16/h1-7H
InChIKeyJHPKMRPPBHCWDP-UHFFFAOYSA-N
XLogP3.54
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.09
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-nitro-2-[2-[[2-[(3-nitro-2-pyridinyl)oxy]phenyl]disulfanyl]phenoxy]pyridine
CID 618978
2-(2-nitrophenoxy)pyridine-3-carboximidamide
CID 54915747
3-bromo-2-(2-methoxyphenoxy)pyridine
CID 61375067
2-(2-nitrophenoxy)pyridine-3-carboximidamide;hydrochloride
CID 82240737
bicyclo[2.2.0]hexa-1,3,5-triene;2-(2-nitrophenoxy)pyridine
CID 174798016
3-nitro-2-[2-[2-(3-nitro-2-pyridinyl)phenoxy]phenyl]pyridine
CID 175178315
1-bromo-2-nitrobenzene;ethane
CID 91072043
1-bromo-2-nitrobenzene
CID 158366116
2-bromo-4-fluoro-1-(2-nitrophenoxy)benzene
CID 9112165
2-(2-bromophenoxy)-1-methyl-3-nitrobenzene
CID 113333873
2-(5-fluoro-2-nitrophenoxy)pyridin-3-amine
CID 114051796
5-methyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80875420

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2-nitrophenoxy)pyridine?
The IUPAC name of 3-bromo-2-(2-nitrophenoxy)pyridine (CID 61373940) is 3-bromo-2-(2-nitrophenoxy)pyridine.
What is the SMILES notation for 3-bromo-2-(2-nitrophenoxy)pyridine?
The canonical SMILES for 3-bromo-2-(2-nitrophenoxy)pyridine is O=[N+]([O-])c1ccccc1Oc1ncccc1Br.
What is the InChIKey of 3-bromo-2-(2-nitrophenoxy)pyridine?
The InChIKey is JHPKMRPPBHCWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O3/c12-8-4-3-7-13-11(8)17-10-6-2-1-5-9(10)14(15)16/h1-7H.
What are the key properties of 3-bromo-2-(2-nitrophenoxy)pyridine?
3-bromo-2-(2-nitrophenoxy)pyridine has a molecular weight of 295.09 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2-nitrophenoxy)pyridine is sourced from PubChem (CID 61373940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).