N'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-phenylacetohydrazide

C15H11F3N4O — CID 10591765

IUPACN'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-phenylacetohydrazide
SMILESN#Cc1ccc(C(F)(F)F)nc1NNC(=O)Cc1ccccc1
InChIInChI=1S/C15H11F3N4O/c16-15(17,18)12-7-6-11(9-19)14(20-12)22-21-13(23)8-10-4-2-1-3-5-10/h1-7H,8H2,(H,20,22)(H,21,23)
InChIKeyGMZVYMSGRNZKMN-UHFFFAOYSA-N
MW320.27 g/mol
LogP2.66
Rot. Bonds4

About N'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-phenylacetohydrazide

N'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-phenylacetohydrazide (PubChem CID 10591765) has the molecular formula C15H11F3N4O and a molecular weight of 320.27 g/mol. Its IUPAC name is N'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-phenylacetohydrazide.

Molecular Properties

Compound NameN'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-phenylacetohydrazide
PubChem CID10591765
Molecular FormulaC15H11F3N4O
Molecular Weight320.27 g/mol
Exact Mass320.09
IUPAC NameN'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-phenylacetohydrazide
SMILESN#Cc1ccc(C(F)(F)F)nc1NNC(=O)Cc1ccccc1
InChIInChI=1S/C15H11F3N4O/c16-15(17,18)12-7-6-11(9-19)14(20-12)22-21-13(23)8-10-4-2-1-3-5-10/h1-7H,8H2,(H,20,22)(H,21,23)
InChIKeyGMZVYMSGRNZKMN-UHFFFAOYSA-N
XLogP2.66
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-phenylacetohydrazide?
The IUPAC name of N'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-phenylacetohydrazide (CID 10591765) is N'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-phenylacetohydrazide.
What is the SMILES notation for N'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-phenylacetohydrazide?
The canonical SMILES for N'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-phenylacetohydrazide is N#Cc1ccc(C(F)(F)F)nc1NNC(=O)Cc1ccccc1.
What is the InChIKey of N'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-phenylacetohydrazide?
The InChIKey is GMZVYMSGRNZKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O/c16-15(17,18)12-7-6-11(9-19)14(20-12)22-21-13(23)8-10-4-2-1-3-5-10/h1-7H,8H2,(H,20,22)(H,21,23).
What are the key properties of N'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-phenylacetohydrazide?
N'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-phenylacetohydrazide has a molecular weight of 320.27 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-phenylacetohydrazide is sourced from PubChem (CID 10591765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).