2-(4,4-difluoropiperidin-1-yl)-6-nitropyridine

C10H11F2N3O2 — CID 170943771

IUPAC2-(4,4-difluoropiperidin-1-yl)-6-nitropyridine
SMILESO=[N+]([O-])c1cccc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C10H11F2N3O2/c11-10(12)4-6-14(7-5-10)8-2-1-3-9(13-8)15(16)17/h1-3H,4-7H2
InChIKeyCOQVSUIFHSLGMF-UHFFFAOYSA-N
MW243.21 g/mol
LogP2.23
Rot. Bonds2

About 2-(4,4-difluoropiperidin-1-yl)-6-nitropyridine

2-(4,4-difluoropiperidin-1-yl)-6-nitropyridine (PubChem CID 170943771) has the molecular formula C10H11F2N3O2 and a molecular weight of 243.21 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-6-nitropyridine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-6-nitropyridine
PubChem CID170943771
Molecular FormulaC10H11F2N3O2
Molecular Weight243.21 g/mol
Exact Mass243.08
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-6-nitropyridine
SMILESO=[N+]([O-])c1cccc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C10H11F2N3O2/c11-10(12)4-6-14(7-5-10)8-2-1-3-9(13-8)15(16)17/h1-3H,4-7H2
InChIKeyCOQVSUIFHSLGMF-UHFFFAOYSA-N
XLogP2.23
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4,4-difluoropiperidin-1-yl)-6-nitropyridine 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 2-(4,4-difluoropiperidin-1-yl)-6-nitropyridine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-6-nitropyridine (CID 170943771) is 2-(4,4-difluoropiperidin-1-yl)-6-nitropyridine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-6-nitropyridine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-6-nitropyridine is O=[N+]([O-])c1cccc(N2CCC(F)(F)CC2)n1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-6-nitropyridine?
The InChIKey is COQVSUIFHSLGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O2/c11-10(12)4-6-14(7-5-10)8-2-1-3-9(13-8)15(16)17/h1-3H,4-7H2.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-6-nitropyridine?
2-(4,4-difluoropiperidin-1-yl)-6-nitropyridine has a molecular weight of 243.21 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-6-nitropyridine is sourced from PubChem (CID 170943771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).