2,2,2-trifluoro-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]acetohydrazide

C16H11F6N3O — CID 154049346

IUPAC2,2,2-trifluoro-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]acetohydrazide
SMILESNN(C(=O)C(F)(F)F)c1ccc(C=Cc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C16H11F6N3O/c17-15(18,19)12-6-3-10(4-7-12)1-2-11-5-8-13(24-9-11)25(23)14(26)16(20,21)22/h1-9H,23H2
InChIKeyIBRNOTKSMQNEHN-UHFFFAOYSA-N
MW375.27 g/mol
LogP4.04
Rot. Bonds3

About 2,2,2-trifluoro-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]acetohydrazide

2,2,2-trifluoro-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]acetohydrazide (PubChem CID 154049346) has the molecular formula C16H11F6N3O and a molecular weight of 375.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]acetohydrazide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]acetohydrazide
PubChem CID154049346
Molecular FormulaC16H11F6N3O
Molecular Weight375.27 g/mol
Exact Mass375.08
IUPAC Name2,2,2-trifluoro-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]acetohydrazide
SMILESNN(C(=O)C(F)(F)F)c1ccc(C=Cc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C16H11F6N3O/c17-15(18,19)12-6-3-10(4-7-12)1-2-11-5-8-13(24-9-11)25(23)14(26)16(20,21)22/h1-9H,23H2
InChIKeyIBRNOTKSMQNEHN-UHFFFAOYSA-N
XLogP4.04
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

amino-[5-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 174570503
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carbohydrazide
CID 154695714
4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 53329765
3-[4-[2-[4-(trifluoromethyl)phenyl]ethenyl]pyridin-1-ium-1-yl]propanoic acid
CID 123151853
(E)-2-oxo-4-[4-(trifluoromethyl)phenyl]but-3-enamide
CID 117061556
1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 59221378
[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] acetate
CID 91998712
ethyl (E)-2-oxo-4-[4-(trifluoromethyl)phenyl]but-3-enoate
CID 46217691
1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 76576198
N-(5-amino-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide
CID 130646725
4-[6-(trifluoromethyl)-3-pyridinyl]but-3-en-2-one
CID 67393365

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]acetohydrazide?
The IUPAC name of 2,2,2-trifluoro-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]acetohydrazide (CID 154049346) is 2,2,2-trifluoro-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]acetohydrazide.
What is the SMILES notation for 2,2,2-trifluoro-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]acetohydrazide?
The canonical SMILES for 2,2,2-trifluoro-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]acetohydrazide is NN(C(=O)C(F)(F)F)c1ccc(C=Cc2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of 2,2,2-trifluoro-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]acetohydrazide?
The InChIKey is IBRNOTKSMQNEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6N3O/c17-15(18,19)12-6-3-10(4-7-12)1-2-11-5-8-13(24-9-11)25(23)14(26)16(20,21)22/h1-9H,23H2.
What are the key properties of 2,2,2-trifluoro-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]acetohydrazide?
2,2,2-trifluoro-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]acetohydrazide has a molecular weight of 375.27 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]acetohydrazide is sourced from PubChem (CID 154049346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).