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

C14H9F6N3O — CID 139224391

IUPAC2,2,2-trifluoro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide
SMILESO=C(NNc1cc(C(F)(F)F)cc(-c2ccccc2)n1)C(F)(F)F
InChIInChI=1S/C14H9F6N3O/c15-13(16,17)9-6-10(8-4-2-1-3-5-8)21-11(7-9)22-23-12(24)14(18,19)20/h1-7H,(H,21,22)(H,23,24)
InChIKeyFAXKKHHRUJDHHN-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.77
Rot. Bonds3

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

2,2,2-trifluoro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide (PubChem CID 139224391) has the molecular formula C14H9F6N3O and a molecular weight of 349.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide.

Molecular Properties

Compound Name2,2,2-trifluoro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide
PubChem CID139224391
Molecular FormulaC14H9F6N3O
Molecular Weight349.23 g/mol
Exact Mass349.06
IUPAC Name2,2,2-trifluoro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide
SMILESO=C(NNc1cc(C(F)(F)F)cc(-c2ccccc2)n1)C(F)(F)F
InChIInChI=1S/C14H9F6N3O/c15-13(16,17)9-6-10(8-4-2-1-3-5-8)21-11(7-9)22-23-12(24)14(18,19)20/h1-7H,(H,21,22)(H,23,24)
InChIKeyFAXKKHHRUJDHHN-UHFFFAOYSA-N
XLogP3.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.77
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

2,2,2-trifluoro-N'-(6-fluoropyridin-2-yl)acetohydrazide
CID 1479667
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
[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
5-methyl-2-(2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl)-2,3-dihydro-1H-pyrazol-3-one
CID 137701486
2-Amino-4-phenyl-6-(trifluoromethyl)pyridine
CID 118991241

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide?
The IUPAC name of 2,2,2-trifluoro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide (CID 139224391) is 2,2,2-trifluoro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide.
What is the SMILES notation for 2,2,2-trifluoro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide?
The canonical SMILES for 2,2,2-trifluoro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide is O=C(NNc1cc(C(F)(F)F)cc(-c2ccccc2)n1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide?
The InChIKey is FAXKKHHRUJDHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N3O/c15-13(16,17)9-6-10(8-4-2-1-3-5-8)21-11(7-9)22-23-12(24)14(18,19)20/h1-7H,(H,21,22)(H,23,24).
What are the key properties of 2,2,2-trifluoro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide?
2,2,2-trifluoro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide has a molecular weight of 349.23 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide is sourced from PubChem (CID 139224391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).