6-(4,4-difluoropiperidin-1-yl)-2-methylpyridine-3-carbaldehyde

C12H14F2N2O — CID 168665758

IUPAC6-(4,4-difluoropiperidin-1-yl)-2-methylpyridine-3-carbaldehyde
SMILESCc1nc(N2CCC(F)(F)CC2)ccc1C=O
InChIInChI=1S/C12H14F2N2O/c1-9-10(8-17)2-3-11(15-9)16-6-4-12(13,14)5-7-16/h2-3,8H,4-7H2,1H3
InChIKeyRIWZRMPEURCWIS-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.44
Rot. Bonds2

About 6-(4,4-difluoropiperidin-1-yl)-2-methylpyridine-3-carbaldehyde

6-(4,4-difluoropiperidin-1-yl)-2-methylpyridine-3-carbaldehyde (PubChem CID 168665758) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 6-(4,4-difluoropiperidin-1-yl)-2-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(4,4-difluoropiperidin-1-yl)-2-methylpyridine-3-carbaldehyde
PubChem CID168665758
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name6-(4,4-difluoropiperidin-1-yl)-2-methylpyridine-3-carbaldehyde
SMILESCc1nc(N2CCC(F)(F)CC2)ccc1C=O
InChIInChI=1S/C12H14F2N2O/c1-9-10(8-17)2-3-11(15-9)16-6-4-12(13,14)5-7-16/h2-3,8H,4-7H2,1H3
InChIKeyRIWZRMPEURCWIS-UHFFFAOYSA-N
XLogP2.44
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(4,4-difluoropiperidin-1-yl)-2-methylpyridine-3-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 6-(4,4-difluoropiperidin-1-yl)-2-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-2-methylpyridine-3-carbaldehyde (CID 168665758) is 6-(4,4-difluoropiperidin-1-yl)-2-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-(4,4-difluoropiperidin-1-yl)-2-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-(4,4-difluoropiperidin-1-yl)-2-methylpyridine-3-carbaldehyde is Cc1nc(N2CCC(F)(F)CC2)ccc1C=O.
What is the InChIKey of 6-(4,4-difluoropiperidin-1-yl)-2-methylpyridine-3-carbaldehyde?
The InChIKey is RIWZRMPEURCWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-9-10(8-17)2-3-11(15-9)16-6-4-12(13,14)5-7-16/h2-3,8H,4-7H2,1H3.
What are the key properties of 6-(4,4-difluoropiperidin-1-yl)-2-methylpyridine-3-carbaldehyde?
6-(4,4-difluoropiperidin-1-yl)-2-methylpyridine-3-carbaldehyde has a molecular weight of 240.25 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-difluoropiperidin-1-yl)-2-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 168665758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).