6-bromo-3-nitro-2-phenoxypyridine

C11H7BrN2O3 — CID 58390516

IUPAC6-bromo-3-nitro-2-phenoxypyridine
SMILESO=[N+]([O-])c1ccc(Br)nc1Oc1ccccc1
InChIInChI=1S/C11H7BrN2O3/c12-10-7-6-9(14(15)16)11(13-10)17-8-4-2-1-3-5-8/h1-7H
InChIKeyPJIAKWRSMZIFBK-UHFFFAOYSA-N
MW295.09 g/mol
LogP3.54
Rot. Bonds3

About 6-bromo-3-nitro-2-phenoxypyridine

6-bromo-3-nitro-2-phenoxypyridine (PubChem CID 58390516) has the molecular formula C11H7BrN2O3 and a molecular weight of 295.09 g/mol. Its IUPAC name is 6-bromo-3-nitro-2-phenoxypyridine.

Molecular Properties

Compound Name6-bromo-3-nitro-2-phenoxypyridine
PubChem CID58390516
Molecular FormulaC11H7BrN2O3
Molecular Weight295.09 g/mol
Exact Mass293.96
IUPAC Name6-bromo-3-nitro-2-phenoxypyridine
SMILESO=[N+]([O-])c1ccc(Br)nc1Oc1ccccc1
InChIInChI=1S/C11H7BrN2O3/c12-10-7-6-9(14(15)16)11(13-10)17-8-4-2-1-3-5-8/h1-7H
InChIKeyPJIAKWRSMZIFBK-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': '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

6-bromo-2-fluoro-3-nitropyridine
CID 119085951
3-nitro-2-phenoxypyridine;2-phenoxypyridin-3-amine
CID 160580310
6-(2-bromophenoxy)-5-nitropyridin-2-amine
CID 80859645
5-methyl-3-nitro-2-phenoxypyridine
CID 143610713
2-(4-iodophenoxy)-6-methyl-3-nitropyridine
CID 81131555
5-nitro-6-(3-propan-2-ylphenoxy)pyridin-2-amine
CID 80864810
6-(3-methylphenoxy)-5-nitropyridine-2-carboxylic acid
CID 114403138
6-chloro-3-nitro-2-(3-propan-2-ylphenoxy)pyridine
CID 61037209
6-(3-chlorophenoxy)-5-nitropyridin-2-amine
CID 80869741
4-[(6-methoxy-3-nitro-2-pyridinyl)oxy]-N-methylaniline
CID 115323350
6-chloro-2-(3-fluorophenoxy)-3-nitropyridine
CID 54915179
N-methyl-6-(4-methylphenoxy)-5-nitropyridin-2-amine
CID 80862408

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-nitro-2-phenoxypyridine?
The IUPAC name of 6-bromo-3-nitro-2-phenoxypyridine (CID 58390516) is 6-bromo-3-nitro-2-phenoxypyridine.
What is the SMILES notation for 6-bromo-3-nitro-2-phenoxypyridine?
The canonical SMILES for 6-bromo-3-nitro-2-phenoxypyridine is O=[N+]([O-])c1ccc(Br)nc1Oc1ccccc1.
What is the InChIKey of 6-bromo-3-nitro-2-phenoxypyridine?
The InChIKey is PJIAKWRSMZIFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O3/c12-10-7-6-9(14(15)16)11(13-10)17-8-4-2-1-3-5-8/h1-7H.
What are the key properties of 6-bromo-3-nitro-2-phenoxypyridine?
6-bromo-3-nitro-2-phenoxypyridine 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 6-bromo-3-nitro-2-phenoxypyridine is sourced from PubChem (CID 58390516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).