5-bromo-3-nitro-2-pyridin-3-yloxypyridine

C10H6BrN3O3 — CID 61374906

IUPAC5-bromo-3-nitro-2-pyridin-3-yloxypyridine
SMILESO=[N+]([O-])c1cc(Br)cnc1Oc1cccnc1
InChIInChI=1S/C10H6BrN3O3/c11-7-4-9(14(15)16)10(13-5-7)17-8-2-1-3-12-6-8/h1-6H
InChIKeyCBLAWCRNGMTONS-UHFFFAOYSA-N
MW296.08 g/mol
LogP2.94
Rot. Bonds3

About 5-bromo-3-nitro-2-pyridin-3-yloxypyridine

5-bromo-3-nitro-2-pyridin-3-yloxypyridine (PubChem CID 61374906) has the molecular formula C10H6BrN3O3 and a molecular weight of 296.08 g/mol. Its IUPAC name is 5-bromo-3-nitro-2-pyridin-3-yloxypyridine.

Molecular Properties

Compound Name5-bromo-3-nitro-2-pyridin-3-yloxypyridine
PubChem CID61374906
Molecular FormulaC10H6BrN3O3
Molecular Weight296.08 g/mol
Exact Mass294.96
IUPAC Name5-bromo-3-nitro-2-pyridin-3-yloxypyridine
SMILESO=[N+]([O-])c1cc(Br)cnc1Oc1cccnc1
InChIInChI=1S/C10H6BrN3O3/c11-7-4-9(14(15)16)10(13-5-7)17-8-2-1-3-12-6-8/h1-6H
InChIKeyCBLAWCRNGMTONS-UHFFFAOYSA-N
XLogP2.94
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.08
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-bromo-3-nitro-2-pyridin-3-yloxypyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine
CID 61372882
4-[(5-bromo-3-nitro-2-pyridinyl)oxy]phenol
CID 61229997
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine
CID 65430932
5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-nitropyridine
CID 61374175
2-[(5-bromo-3-pyridinyl)oxy]-5-methyl-3-nitropyridine
CID 66279586
3-(3-methyl-4-nitrophenoxy)pyridine
CID 19042898
5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine
CID 61229991
5-bromo-3-nitro-2-(2-propoxyphenoxy)pyridine
CID 61374167
5-bromo-3-nitro-2-(2-phenylmethoxyphenoxy)pyridine
CID 166176140
5-bromo-3-nitro-2-propan-2-yloxypyridine
CID 61373982
5-bromo-2-[(4-bromophenyl)methoxy]-3-nitropyridine
CID 82831572
5-bromo-2-(4-bromo-2,5-dichlorophenoxy)-3-nitropyridine
CID 107660117

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-nitro-2-pyridin-3-yloxypyridine?
The IUPAC name of 5-bromo-3-nitro-2-pyridin-3-yloxypyridine (CID 61374906) is 5-bromo-3-nitro-2-pyridin-3-yloxypyridine.
What is the SMILES notation for 5-bromo-3-nitro-2-pyridin-3-yloxypyridine?
The canonical SMILES for 5-bromo-3-nitro-2-pyridin-3-yloxypyridine is O=[N+]([O-])c1cc(Br)cnc1Oc1cccnc1.
What is the InChIKey of 5-bromo-3-nitro-2-pyridin-3-yloxypyridine?
The InChIKey is CBLAWCRNGMTONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN3O3/c11-7-4-9(14(15)16)10(13-5-7)17-8-2-1-3-12-6-8/h1-6H.
What are the key properties of 5-bromo-3-nitro-2-pyridin-3-yloxypyridine?
5-bromo-3-nitro-2-pyridin-3-yloxypyridine has a molecular weight of 296.08 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-nitro-2-pyridin-3-yloxypyridine is sourced from PubChem (CID 61374906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).