6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-3-carbohydrazide

C11H13F3N4O — CID 162444317

IUPAC6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-3-carbohydrazide
SMILESNNC(=O)c1cnc(N2CCC(F)(F)CC2)c(F)c1
InChIInChI=1S/C11H13F3N4O/c12-8-5-7(10(19)17-15)6-16-9(8)18-3-1-11(13,14)2-4-18/h5-6H,1-4,15H2,(H,17,19)
InChIKeyMTFWHRVGOFNMJU-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.06
Rot. Bonds2

About 6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-3-carbohydrazide

6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-3-carbohydrazide (PubChem CID 162444317) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is 6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-3-carbohydrazide.

Molecular Properties

Compound Name6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-3-carbohydrazide
PubChem CID162444317
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-3-carbohydrazide
SMILESNNC(=O)c1cnc(N2CCC(F)(F)CC2)c(F)c1
InChIInChI=1S/C11H13F3N4O/c12-8-5-7(10(19)17-15)6-16-9(8)18-3-1-11(13,14)2-4-18/h5-6H,1-4,15H2,(H,17,19)
InChIKeyMTFWHRVGOFNMJU-UHFFFAOYSA-N
XLogP1.06
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-3-carbohydrazide?
The IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-3-carbohydrazide (CID 162444317) is 6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-3-carbohydrazide.
What is the SMILES notation for 6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-3-carbohydrazide?
The canonical SMILES for 6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-3-carbohydrazide is NNC(=O)c1cnc(N2CCC(F)(F)CC2)c(F)c1.
What is the InChIKey of 6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-3-carbohydrazide?
The InChIKey is MTFWHRVGOFNMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c12-8-5-7(10(19)17-15)6-16-9(8)18-3-1-11(13,14)2-4-18/h5-6H,1-4,15H2,(H,17,19).
What are the key properties of 6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-3-carbohydrazide?
6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-3-carbohydrazide has a molecular weight of 274.25 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-3-carbohydrazide is sourced from PubChem (CID 162444317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).