N'-[5-(trifluoromethyl)-2-pyridinyl]acetohydrazide

C8H8F3N3O — CID 2727160

IUPACN'-[5-(trifluoromethyl)-2-pyridinyl]acetohydrazide
SMILESCC(=O)NNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C8H8F3N3O/c1-5(15)13-14-7-3-2-6(4-12-7)8(9,10)11/h2-4H,1H3,(H,12,14)(H,13,15)
InChIKeyRJHATSMIAPWOLX-UHFFFAOYSA-N
MW219.17 g/mol
LogP1.56
Rot. Bonds2

About N'-[5-(trifluoromethyl)-2-pyridinyl]acetohydrazide

N'-[5-(trifluoromethyl)-2-pyridinyl]acetohydrazide (PubChem CID 2727160) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is N'-[5-(trifluoromethyl)-2-pyridinyl]acetohydrazide.

Molecular Properties

Compound NameN'-[5-(trifluoromethyl)-2-pyridinyl]acetohydrazide
PubChem CID2727160
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC NameN'-[5-(trifluoromethyl)-2-pyridinyl]acetohydrazide
SMILESCC(=O)NNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C8H8F3N3O/c1-5(15)13-14-7-3-2-6(4-12-7)8(9,10)11/h2-4H,1H3,(H,12,14)(H,13,15)
InChIKeyRJHATSMIAPWOLX-UHFFFAOYSA-N
XLogP1.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 51.56
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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Frequently Asked Questions

What is the IUPAC name of N'-[5-(trifluoromethyl)-2-pyridinyl]acetohydrazide?
The IUPAC name of N'-[5-(trifluoromethyl)-2-pyridinyl]acetohydrazide (CID 2727160) is N'-[5-(trifluoromethyl)-2-pyridinyl]acetohydrazide.
What is the SMILES notation for N'-[5-(trifluoromethyl)-2-pyridinyl]acetohydrazide?
The canonical SMILES for N'-[5-(trifluoromethyl)-2-pyridinyl]acetohydrazide is CC(=O)NNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N'-[5-(trifluoromethyl)-2-pyridinyl]acetohydrazide?
The InChIKey is RJHATSMIAPWOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c1-5(15)13-14-7-3-2-6(4-12-7)8(9,10)11/h2-4H,1H3,(H,12,14)(H,13,15).
What are the key properties of N'-[5-(trifluoromethyl)-2-pyridinyl]acetohydrazide?
N'-[5-(trifluoromethyl)-2-pyridinyl]acetohydrazide has a molecular weight of 219.17 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(trifluoromethyl)-2-pyridinyl]acetohydrazide is sourced from PubChem (CID 2727160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).