N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]propanehydrazide

C15H14F3N3O — CID 139224364

IUPACN'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]propanehydrazide
SMILESCCC(=O)NNc1cc(C(F)(F)F)cc(-c2ccccc2)n1
InChIInChI=1S/C15H14F3N3O/c1-2-14(22)21-20-13-9-11(15(16,17)18)8-12(19-13)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,19,20)(H,21,22)
InChIKeyVZZZBDMTAJWGNR-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.62
Rot. Bonds4

About N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]propanehydrazide

N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]propanehydrazide (PubChem CID 139224364) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]propanehydrazide.

Molecular Properties

Compound NameN'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]propanehydrazide
PubChem CID139224364
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC NameN'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]propanehydrazide
SMILESCCC(=O)NNc1cc(C(F)(F)F)cc(-c2ccccc2)n1
InChIInChI=1S/C15H14F3N3O/c1-2-14(22)21-20-13-9-11(15(16,17)18)8-12(19-13)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,19,20)(H,21,22)
InChIKeyVZZZBDMTAJWGNR-UHFFFAOYSA-N
XLogP3.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-4-{[(E)-6-methyl-pyridin-2-ylimino]-methyl}-2-p-tolyl-2H-pyrazol-3-ol
CID 135650685
1-(6-Methyl-4-(trifluoromethyl)-2-pyridyl)hydrazine
CID 2775684
1-[[5,6-Bis(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177168039
1-[[6-Cyclopentyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177168067
1-[[4,6-Bis(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177168113
1-[[6-Cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177168206
N'-[6-(trifluoromethyl)-2-pyridinyl]acetohydrazide
CID 2727259
N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)acetohydrazide
CID 42600456
N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)propanehydrazide
CID 42600457
[6-Phenyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 21818176
Benzhydrazide, 2,6-difluoro-N2-(6-trifluoromethyl-2-pyridyl)-
CID 588100
2-Hydrazino-4,6-bis(trifluoromethyl)pyridine
CID 2764607

Frequently Asked Questions

What is the IUPAC name of N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]propanehydrazide?
The IUPAC name of N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]propanehydrazide (CID 139224364) is N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]propanehydrazide.
What is the SMILES notation for N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]propanehydrazide?
The canonical SMILES for N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]propanehydrazide is CCC(=O)NNc1cc(C(F)(F)F)cc(-c2ccccc2)n1.
What is the InChIKey of N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]propanehydrazide?
The InChIKey is VZZZBDMTAJWGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O/c1-2-14(22)21-20-13-9-11(15(16,17)18)8-12(19-13)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]propanehydrazide?
N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]propanehydrazide has a molecular weight of 309.29 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]propanehydrazide is sourced from PubChem (CID 139224364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).