3-nitro-4-piperidin-4-yloxypyridine;hydrochloride

C10H14ClN3O3 — CID 68908820

IUPAC3-nitro-4-piperidin-4-yloxypyridine;hydrochloride
SMILESCl.O=[N+]([O-])c1cnccc1OC1CCNCC1
InChIInChI=1S/C10H13N3O3.ClH/c14-13(15)9-7-12-6-3-10(9)16-8-1-4-11-5-2-8;/h3,6-8,11H,1-2,4-5H2;1H
InChIKeyKKLBJTWMINEUNV-UHFFFAOYSA-N
MW259.69 g/mol
LogP1.54
Rot. Bonds3

About 3-nitro-4-piperidin-4-yloxypyridine;hydrochloride

3-nitro-4-piperidin-4-yloxypyridine;hydrochloride (PubChem CID 68908820) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 3-nitro-4-piperidin-4-yloxypyridine;hydrochloride.

Molecular Properties

Compound Name3-nitro-4-piperidin-4-yloxypyridine;hydrochloride
PubChem CID68908820
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name3-nitro-4-piperidin-4-yloxypyridine;hydrochloride
SMILESCl.O=[N+]([O-])c1cnccc1OC1CCNCC1
InChIInChI=1S/C10H13N3O3.ClH/c14-13(15)9-7-12-6-3-10(9)16-8-1-4-11-5-2-8;/h3,6-8,11H,1-2,4-5H2;1H
InChIKeyKKLBJTWMINEUNV-UHFFFAOYSA-N
XLogP1.54
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 51.54
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

4-Ethoxy-3-nitropyridine
CID 356305
3-[[(2S)-azetidin-2-yl]methoxy]-5-nitropyridine
CID 21345211
4-Ethoxy-3-nitropyridine hydrochloride
CID 12407497
4-Methoxy-3-nitropyridine
CID 355832
N-Methyl-2-[(5-nitro-3-pyridinyl)oxy]ethanamine
CID 44341030
4-Methoxy-3-nitropyridine hydrochloride
CID 355831
4-Methoxy-3-nitro-1-oxidopyridin-1-ium
CID 237783
4-Butoxypyridin-3-amine
CID 43267465
4-(Tert-butoxy)pyridin-3-amine
CID 28994903
2-Chloro-4-methoxy-3-nitropyridine
CID 3778232
2H,3H,4H-pyrido[4,3-b][1,4]oxazine
CID 21885950
4-methoxy-2-methyl-3-nitroPyridine
CID 12661298

Frequently Asked Questions

What is the IUPAC name of 3-nitro-4-piperidin-4-yloxypyridine;hydrochloride?
The IUPAC name of 3-nitro-4-piperidin-4-yloxypyridine;hydrochloride (CID 68908820) is 3-nitro-4-piperidin-4-yloxypyridine;hydrochloride.
What is the SMILES notation for 3-nitro-4-piperidin-4-yloxypyridine;hydrochloride?
The canonical SMILES for 3-nitro-4-piperidin-4-yloxypyridine;hydrochloride is Cl.O=[N+]([O-])c1cnccc1OC1CCNCC1.
What is the InChIKey of 3-nitro-4-piperidin-4-yloxypyridine;hydrochloride?
The InChIKey is KKLBJTWMINEUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3.ClH/c14-13(15)9-7-12-6-3-10(9)16-8-1-4-11-5-2-8;/h3,6-8,11H,1-2,4-5H2;1H.
What are the key properties of 3-nitro-4-piperidin-4-yloxypyridine;hydrochloride?
3-nitro-4-piperidin-4-yloxypyridine;hydrochloride has a molecular weight of 259.69 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-4-piperidin-4-yloxypyridine;hydrochloride is sourced from PubChem (CID 68908820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).