3-bromo-5-nitro-2-[(3S)-piperidin-3-yl]oxypyridine

C10H12BrN3O3 — CID 79523632

IUPAC3-bromo-5-nitro-2-[(3S)-piperidin-3-yl]oxypyridine
SMILESO=[N+]([O-])c1cnc(O[C@H]2CCCNC2)c(Br)c1
InChIInChI=1S/C10H12BrN3O3/c11-9-4-7(14(15)16)5-13-10(9)17-8-2-1-3-12-6-8/h4-5,8,12H,1-3,6H2/t8-/m0/s1
InChIKeyQZNSVLFUWBLJJI-QMMMGPOBSA-N
MW302.13 g/mol
LogP1.88
Rot. Bonds3

About 3-bromo-5-nitro-2-[(3S)-piperidin-3-yl]oxypyridine

3-bromo-5-nitro-2-[(3S)-piperidin-3-yl]oxypyridine (PubChem CID 79523632) has the molecular formula C10H12BrN3O3 and a molecular weight of 302.13 g/mol. Its IUPAC name is 3-bromo-5-nitro-2-[(3S)-piperidin-3-yl]oxypyridine.

Molecular Properties

Compound Name3-bromo-5-nitro-2-[(3S)-piperidin-3-yl]oxypyridine
PubChem CID79523632
Molecular FormulaC10H12BrN3O3
Molecular Weight302.13 g/mol
Exact Mass301.01
IUPAC Name3-bromo-5-nitro-2-[(3S)-piperidin-3-yl]oxypyridine
SMILESO=[N+]([O-])c1cnc(O[C@H]2CCCNC2)c(Br)c1
InChIInChI=1S/C10H12BrN3O3/c11-9-4-7(14(15)16)5-13-10(9)17-8-2-1-3-12-6-8/h4-5,8,12H,1-3,6H2/t8-/m0/s1
InChIKeyQZNSVLFUWBLJJI-QMMMGPOBSA-N
XLogP1.88
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 51.88
H-Bond Donors ≤ 51
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-chloro-5-nitro-2-piperidin-3-yloxypyridine
CID 114046940
3-bromo-5-nitro-2-(oxetan-3-yloxy)pyridine
CID 155387445
3-bromo-4-methyl-5-nitro-2-[(3S)-piperidin-3-yl]oxypyridine
CID 113420700
3-bromo-4-methyl-5-nitro-2-piperidin-3-yloxypyridine
CID 104508427
3-bromo-2-(4-fluoro-4-methylcyclohexyl)oxy-5-nitropyridine
CID 147982064
5-nitro-2-[(3S)-piperidin-3-yl]oxy-1,3-thiazole
CID 102771875
3-[(2-bromo-4-nitrophenyl)methoxy]piperidine
CID 62329388
3-bromo-5-nitro-2-[[(2S)-piperidin-2-yl]methoxy]pyridine
CID 177197280
3-bromo-5-methyl-2-pyrrolidin-3-yloxypyridine
CID 105368575
2-cyclohexyloxy-3-fluoro-5-nitropyridine
CID 176696407
3-(3-methyl-5-nitrophenoxy)piperidine
CID 112649701
3-bromo-4-methyl-5-nitro-2-pyrrolidin-3-yloxypyridine
CID 104508420

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-nitro-2-[(3S)-piperidin-3-yl]oxypyridine?
The IUPAC name of 3-bromo-5-nitro-2-[(3S)-piperidin-3-yl]oxypyridine (CID 79523632) is 3-bromo-5-nitro-2-[(3S)-piperidin-3-yl]oxypyridine.
What is the SMILES notation for 3-bromo-5-nitro-2-[(3S)-piperidin-3-yl]oxypyridine?
The canonical SMILES for 3-bromo-5-nitro-2-[(3S)-piperidin-3-yl]oxypyridine is O=[N+]([O-])c1cnc(O[C@H]2CCCNC2)c(Br)c1.
What is the InChIKey of 3-bromo-5-nitro-2-[(3S)-piperidin-3-yl]oxypyridine?
The InChIKey is QZNSVLFUWBLJJI-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12BrN3O3/c11-9-4-7(14(15)16)5-13-10(9)17-8-2-1-3-12-6-8/h4-5,8,12H,1-3,6H2/t8-/m0/s1.
What are the key properties of 3-bromo-5-nitro-2-[(3S)-piperidin-3-yl]oxypyridine?
3-bromo-5-nitro-2-[(3S)-piperidin-3-yl]oxypyridine has a molecular weight of 302.13 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-nitro-2-[(3S)-piperidin-3-yl]oxypyridine is sourced from PubChem (CID 79523632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).