3-nitro-4-(piperidin-2-ylmethoxy)pyridine

C11H15N3O3 — CID 62349163

IUPAC3-nitro-4-(piperidin-2-ylmethoxy)pyridine
SMILESO=[N+]([O-])c1cnccc1OCC1CCCCN1
InChIInChI=1S/C11H15N3O3/c15-14(16)10-7-12-6-4-11(10)17-8-9-3-1-2-5-13-9/h4,6-7,9,13H,1-3,5,8H2
InChIKeyQYHORLBJYCLEMG-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.51
Rot. Bonds4

About 3-nitro-4-(piperidin-2-ylmethoxy)pyridine

3-nitro-4-(piperidin-2-ylmethoxy)pyridine (PubChem CID 62349163) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-nitro-4-(piperidin-2-ylmethoxy)pyridine.

Molecular Properties

Compound Name3-nitro-4-(piperidin-2-ylmethoxy)pyridine
PubChem CID62349163
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-nitro-4-(piperidin-2-ylmethoxy)pyridine
SMILESO=[N+]([O-])c1cnccc1OCC1CCCCN1
InChIInChI=1S/C11H15N3O3/c15-14(16)10-7-12-6-4-11(10)17-8-9-3-1-2-5-13-9/h4,6-7,9,13H,1-3,5,8H2
InChIKeyQYHORLBJYCLEMG-UHFFFAOYSA-N
XLogP1.51
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.51
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

(2S)-2-[(4-bromo-2-nitrophenoxy)methyl]pyrrolidine
CID 94406471
3-chloro-4-(pyrrolidin-2-ylmethoxy)pyridine
CID 79840170
3-bromo-4-methyl-5-nitro-2-(piperidin-2-ylmethoxy)pyridine
CID 104508429
(2R)-2-[(4-methoxy-2-nitrophenoxy)methyl]pyrrolidine
CID 102820051
3-nitro-2-(piperidin-2-ylmethoxy)benzonitrile
CID 90038503
(2S)-2-[(2-bromo-4-nitrophenoxy)methyl]piperidine
CID 177197250
2-[(2-bromo-4-nitrophenoxy)methyl]piperidine
CID 62348467
2-[(3-chloro-2-nitrophenoxy)methyl]piperidine
CID 113459399
6-methyl-3-nitro-2-(pyrrolidin-2-ylmethoxy)pyridine
CID 81137313
6-methoxy-3-nitro-2-(piperidin-2-ylmethoxy)pyridine
CID 115323416
2-nitro-5-(piperidin-2-ylmethoxy)benzonitrile
CID 115500682
3-bromo-5-nitro-2-[[(2S)-piperidin-2-yl]methoxy]pyridine
CID 177197280

Frequently Asked Questions

What is the IUPAC name of 3-nitro-4-(piperidin-2-ylmethoxy)pyridine?
The IUPAC name of 3-nitro-4-(piperidin-2-ylmethoxy)pyridine (CID 62349163) is 3-nitro-4-(piperidin-2-ylmethoxy)pyridine.
What is the SMILES notation for 3-nitro-4-(piperidin-2-ylmethoxy)pyridine?
The canonical SMILES for 3-nitro-4-(piperidin-2-ylmethoxy)pyridine is O=[N+]([O-])c1cnccc1OCC1CCCCN1.
What is the InChIKey of 3-nitro-4-(piperidin-2-ylmethoxy)pyridine?
The InChIKey is QYHORLBJYCLEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-14(16)10-7-12-6-4-11(10)17-8-9-3-1-2-5-13-9/h4,6-7,9,13H,1-3,5,8H2.
What are the key properties of 3-nitro-4-(piperidin-2-ylmethoxy)pyridine?
3-nitro-4-(piperidin-2-ylmethoxy)pyridine has a molecular weight of 237.26 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-4-(piperidin-2-ylmethoxy)pyridine is sourced from PubChem (CID 62349163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).