2,6-difluoro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide

C13H8F5N3O — CID 588100

IUPAC2,6-difluoro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide
SMILESO=C(NNc1cccc(C(F)(F)F)n1)c1c(F)cccc1F
InChIInChI=1S/C13H8F5N3O/c14-7-3-1-4-8(15)11(7)12(22)21-20-10-6-2-5-9(19-10)13(16,17)18/h1-6H,(H,19,20)(H,21,22)
InChIKeyLDXJDBHNCDWNBO-UHFFFAOYSA-N
MW317.22 g/mol
LogP3.14
Rot. Bonds3

About 2,6-difluoro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide

2,6-difluoro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide (PubChem CID 588100) has the molecular formula C13H8F5N3O and a molecular weight of 317.22 g/mol. Its IUPAC name is 2,6-difluoro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide.

Molecular Properties

Compound Name2,6-difluoro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide
PubChem CID588100
Molecular FormulaC13H8F5N3O
Molecular Weight317.22 g/mol
Exact Mass317.06
IUPAC Name2,6-difluoro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide
SMILESO=C(NNc1cccc(C(F)(F)F)n1)c1c(F)cccc1F
InChIInChI=1S/C13H8F5N3O/c14-7-3-1-4-8(15)11(7)12(22)21-20-10-6-2-5-9(19-10)13(16,17)18/h1-6H,(H,19,20)(H,21,22)
InChIKeyLDXJDBHNCDWNBO-UHFFFAOYSA-N
XLogP3.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,6-difluoro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide 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 2,6-difluoro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
The IUPAC name of 2,6-difluoro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide (CID 588100) is 2,6-difluoro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide.
What is the SMILES notation for 2,6-difluoro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
The canonical SMILES for 2,6-difluoro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide is O=C(NNc1cccc(C(F)(F)F)n1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
The InChIKey is LDXJDBHNCDWNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F5N3O/c14-7-3-1-4-8(15)11(7)12(22)21-20-10-6-2-5-9(19-10)13(16,17)18/h1-6H,(H,19,20)(H,21,22).
What are the key properties of 2,6-difluoro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
2,6-difluoro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide has a molecular weight of 317.22 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide is sourced from PubChem (CID 588100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).