5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde

C11H13FN2O — CID 121249830

IUPAC5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde
SMILESO=Cc1ccc(N2CCC(F)CC2)cn1
InChIInChI=1S/C11H13FN2O/c12-9-3-5-14(6-4-9)11-2-1-10(8-15)13-7-11/h1-2,7-9H,3-6H2
InChIKeyCPFOVFHIRYYWPJ-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.83
Rot. Bonds2

About 5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde

5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde (PubChem CID 121249830) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde
PubChem CID121249830
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde
SMILESO=Cc1ccc(N2CCC(F)CC2)cn1
InChIInChI=1S/C11H13FN2O/c12-9-3-5-14(6-4-9)11-2-1-10(8-15)13-7-11/h1-2,7-9H,3-6H2
InChIKeyCPFOVFHIRYYWPJ-UHFFFAOYSA-N
XLogP1.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde?
The IUPAC name of 5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde (CID 121249830) is 5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde?
The canonical SMILES for 5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde is O=Cc1ccc(N2CCC(F)CC2)cn1.
What is the InChIKey of 5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde?
The InChIKey is CPFOVFHIRYYWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c12-9-3-5-14(6-4-9)11-2-1-10(8-15)13-7-11/h1-2,7-9H,3-6H2.
What are the key properties of 5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde?
5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde has a molecular weight of 208.24 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde is sourced from PubChem (CID 121249830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).