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

C14H12F3N3O — CID 139224363

IUPACN'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide
SMILESCC(=O)NNc1cc(C(F)(F)F)cc(-c2ccccc2)n1
InChIInChI=1S/C14H12F3N3O/c1-9(21)19-20-13-8-11(14(15,16)17)7-12(18-13)10-5-3-2-4-6-10/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyZGLRLBNYWYJKAN-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.23
Rot. Bonds3

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

N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide (PubChem CID 139224363) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide.

Molecular Properties

Compound NameN'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide
PubChem CID139224363
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC NameN'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide
SMILESCC(=O)NNc1cc(C(F)(F)F)cc(-c2ccccc2)n1
InChIInChI=1S/C14H12F3N3O/c1-9(21)19-20-13-8-11(14(15,16)17)7-12(18-13)10-5-3-2-4-6-10/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyZGLRLBNYWYJKAN-UHFFFAOYSA-N
XLogP3.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.23
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

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'-[5-(trifluoromethyl)-2-pyridinyl]acetohydrazide
CID 2727160
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
Acethydrazide, N2-(3-trifluoromethyl-2-pyridyl)-
CID 600773

Frequently Asked Questions

What is the IUPAC name of N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide?
The IUPAC name of N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide (CID 139224363) is N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide.
What is the SMILES notation for N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide?
The canonical SMILES for N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide is CC(=O)NNc1cc(C(F)(F)F)cc(-c2ccccc2)n1.
What is the InChIKey of N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide?
The InChIKey is ZGLRLBNYWYJKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c1-9(21)19-20-13-8-11(14(15,16)17)7-12(18-13)10-5-3-2-4-6-10/h2-8H,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide?
N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide has a molecular weight of 295.26 g/mol, XLogP of 3.23, 3 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]acetohydrazide is sourced from PubChem (CID 139224363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).