3-bromo-5-nitro-2-(oxetan-3-yloxy)pyridine

C8H7BrN2O4 — CID 155387445

IUPAC3-bromo-5-nitro-2-(oxetan-3-yloxy)pyridine
SMILESO=[N+]([O-])c1cnc(OC2COC2)c(Br)c1
InChIInChI=1S/C8H7BrN2O4/c9-7-1-5(11(12)13)2-10-8(7)15-6-3-14-4-6/h1-2,6H,3-4H2
InChIKeyWSWXOGOQRCJFHV-UHFFFAOYSA-N
MW275.06 g/mol
LogP1.53
Rot. Bonds3

About 3-bromo-5-nitro-2-(oxetan-3-yloxy)pyridine

3-bromo-5-nitro-2-(oxetan-3-yloxy)pyridine (PubChem CID 155387445) has the molecular formula C8H7BrN2O4 and a molecular weight of 275.06 g/mol. Its IUPAC name is 3-bromo-5-nitro-2-(oxetan-3-yloxy)pyridine.

Molecular Properties

Compound Name3-bromo-5-nitro-2-(oxetan-3-yloxy)pyridine
PubChem CID155387445
Molecular FormulaC8H7BrN2O4
Molecular Weight275.06 g/mol
Exact Mass273.96
IUPAC Name3-bromo-5-nitro-2-(oxetan-3-yloxy)pyridine
SMILESO=[N+]([O-])c1cnc(OC2COC2)c(Br)c1
InChIInChI=1S/C8H7BrN2O4/c9-7-1-5(11(12)13)2-10-8(7)15-6-3-14-4-6/h1-2,6H,3-4H2
InChIKeyWSWXOGOQRCJFHV-UHFFFAOYSA-N
XLogP1.53
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.06
LogP ≤ 51.53
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'}

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Related Compounds

3-bromo-2-(4-fluoro-4-methylcyclohexyl)oxy-5-nitropyridine
CID 147982064
3-bromo-5-nitro-2-[(3S)-piperidin-3-yl]oxypyridine
CID 79523632
5-bromo-6-(oxetan-3-yloxy)pyridin-3-amine
CID 102605464
[5-bromo-6-(oxetan-3-yloxy)-3-pyridinyl]methanamine
CID 130550933
3-bromo-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine
CID 53407765
2-cyclohexyloxy-3-fluoro-5-nitropyridine
CID 176696407
3-bromo-5-nitro-2-[[(2S)-piperidin-2-yl]methoxy]pyridine
CID 177197280
3-bromo-5-nitro-N-[(3R)-oxan-3-yl]pyridin-2-amine
CID 96570726
3-bromo-2-(difluoromethyl)-5-nitropyridine
CID 130095069
3-bromo-2-(3-bromo-4-fluorophenoxy)-5-nitropyridine
CID 83235893
3-nitro-5-(oxetan-3-yloxy)aniline
CID 102608859
3-bromo-N-cyclohexyl-5-nitropyridin-2-amine
CID 79535138

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-nitro-2-(oxetan-3-yloxy)pyridine?
The IUPAC name of 3-bromo-5-nitro-2-(oxetan-3-yloxy)pyridine (CID 155387445) is 3-bromo-5-nitro-2-(oxetan-3-yloxy)pyridine.
What is the SMILES notation for 3-bromo-5-nitro-2-(oxetan-3-yloxy)pyridine?
The canonical SMILES for 3-bromo-5-nitro-2-(oxetan-3-yloxy)pyridine is O=[N+]([O-])c1cnc(OC2COC2)c(Br)c1.
What is the InChIKey of 3-bromo-5-nitro-2-(oxetan-3-yloxy)pyridine?
The InChIKey is WSWXOGOQRCJFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O4/c9-7-1-5(11(12)13)2-10-8(7)15-6-3-14-4-6/h1-2,6H,3-4H2.
What are the key properties of 3-bromo-5-nitro-2-(oxetan-3-yloxy)pyridine?
3-bromo-5-nitro-2-(oxetan-3-yloxy)pyridine has a molecular weight of 275.06 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-nitro-2-(oxetan-3-yloxy)pyridine is sourced from PubChem (CID 155387445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).