1-(5-nitro-2-pyridinyl)piperidine-4-carbaldehyde

C11H13N3O3 — CID 62663272

IUPAC1-(5-nitro-2-pyridinyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(c2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C11H13N3O3/c15-8-9-3-5-13(6-4-9)11-2-1-10(7-12-11)14(16)17/h1-2,7-9H,3-6H2
InChIKeyJVSKGQKZYXLJAG-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.41
Rot. Bonds3

About 1-(5-nitro-2-pyridinyl)piperidine-4-carbaldehyde

1-(5-nitro-2-pyridinyl)piperidine-4-carbaldehyde (PubChem CID 62663272) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 1-(5-nitro-2-pyridinyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(5-nitro-2-pyridinyl)piperidine-4-carbaldehyde
PubChem CID62663272
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name1-(5-nitro-2-pyridinyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(c2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C11H13N3O3/c15-8-9-3-5-13(6-4-9)11-2-1-10(7-12-11)14(16)17/h1-2,7-9H,3-6H2
InChIKeyJVSKGQKZYXLJAG-UHFFFAOYSA-N
XLogP1.41
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-nitro-2-pyridinyl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(5-nitro-2-pyridinyl)piperidine-4-carbaldehyde (CID 62663272) is 1-(5-nitro-2-pyridinyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(5-nitro-2-pyridinyl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(5-nitro-2-pyridinyl)piperidine-4-carbaldehyde is O=CC1CCN(c2ccc([N+](=O)[O-])cn2)CC1.
What is the InChIKey of 1-(5-nitro-2-pyridinyl)piperidine-4-carbaldehyde?
The InChIKey is JVSKGQKZYXLJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c15-8-9-3-5-13(6-4-9)11-2-1-10(7-12-11)14(16)17/h1-2,7-9H,3-6H2.
What are the key properties of 1-(5-nitro-2-pyridinyl)piperidine-4-carbaldehyde?
1-(5-nitro-2-pyridinyl)piperidine-4-carbaldehyde has a molecular weight of 235.24 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitro-2-pyridinyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 62663272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).