1-(3,5-difluoro-2-pyridinyl)piperidine-4-carbaldehyde

C11H12F2N2O — CID 112676509

IUPAC1-(3,5-difluoro-2-pyridinyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(c2ncc(F)cc2F)CC1
InChIInChI=1S/C11H12F2N2O/c12-9-5-10(13)11(14-6-9)15-3-1-8(7-16)2-4-15/h5-8H,1-4H2
InChIKeyPUGOMNHZJJGTFR-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.78
Rot. Bonds2

About 1-(3,5-difluoro-2-pyridinyl)piperidine-4-carbaldehyde

1-(3,5-difluoro-2-pyridinyl)piperidine-4-carbaldehyde (PubChem CID 112676509) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-pyridinyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(3,5-difluoro-2-pyridinyl)piperidine-4-carbaldehyde
PubChem CID112676509
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name1-(3,5-difluoro-2-pyridinyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(c2ncc(F)cc2F)CC1
InChIInChI=1S/C11H12F2N2O/c12-9-5-10(13)11(14-6-9)15-3-1-8(7-16)2-4-15/h5-8H,1-4H2
InChIKeyPUGOMNHZJJGTFR-UHFFFAOYSA-N
XLogP1.78
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-2-pyridinyl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(3,5-difluoro-2-pyridinyl)piperidine-4-carbaldehyde (CID 112676509) is 1-(3,5-difluoro-2-pyridinyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(3,5-difluoro-2-pyridinyl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(3,5-difluoro-2-pyridinyl)piperidine-4-carbaldehyde is O=CC1CCN(c2ncc(F)cc2F)CC1.
What is the InChIKey of 1-(3,5-difluoro-2-pyridinyl)piperidine-4-carbaldehyde?
The InChIKey is PUGOMNHZJJGTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c12-9-5-10(13)11(14-6-9)15-3-1-8(7-16)2-4-15/h5-8H,1-4H2.
What are the key properties of 1-(3,5-difluoro-2-pyridinyl)piperidine-4-carbaldehyde?
1-(3,5-difluoro-2-pyridinyl)piperidine-4-carbaldehyde has a molecular weight of 226.23 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-2-pyridinyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 112676509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).