2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,2,2-trifluoroacetohydrazide

C8H4ClF6N3O — CID 88729617

IUPAC2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,2,2-trifluoroacetohydrazide
SMILESNN(F)C(=O)C(F)(F)c1ccc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C8H4ClF6N3O/c9-5-3(8(12,13)14)1-2-4(17-5)7(10,11)6(19)18(15)16/h1-2H,16H2
InChIKeyZCKDEZZCVPWRHU-UHFFFAOYSA-N
MW307.58 g/mol
LogP2.43
Rot. Bonds2

About 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,2,2-trifluoroacetohydrazide

2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,2,2-trifluoroacetohydrazide (PubChem CID 88729617) has the molecular formula C8H4ClF6N3O and a molecular weight of 307.58 g/mol. Its IUPAC name is 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,2,2-trifluoroacetohydrazide.

Molecular Properties

Compound Name2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,2,2-trifluoroacetohydrazide
PubChem CID88729617
Molecular FormulaC8H4ClF6N3O
Molecular Weight307.58 g/mol
Exact Mass306.99
IUPAC Name2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,2,2-trifluoroacetohydrazide
SMILESNN(F)C(=O)C(F)(F)c1ccc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C8H4ClF6N3O/c9-5-3(8(12,13)14)1-2-4(17-5)7(10,11)6(19)18(15)16/h1-2H,16H2
InChIKeyZCKDEZZCVPWRHU-UHFFFAOYSA-N
XLogP2.43
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.58
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,2,2-trifluoroacetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,2,2-trifluoroacetohydrazide?
The IUPAC name of 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,2,2-trifluoroacetohydrazide (CID 88729617) is 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,2,2-trifluoroacetohydrazide.
What is the SMILES notation for 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,2,2-trifluoroacetohydrazide?
The canonical SMILES for 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,2,2-trifluoroacetohydrazide is NN(F)C(=O)C(F)(F)c1ccc(C(F)(F)F)c(Cl)n1.
What is the InChIKey of 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,2,2-trifluoroacetohydrazide?
The InChIKey is ZCKDEZZCVPWRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF6N3O/c9-5-3(8(12,13)14)1-2-4(17-5)7(10,11)6(19)18(15)16/h1-2H,16H2.
What are the key properties of 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,2,2-trifluoroacetohydrazide?
2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,2,2-trifluoroacetohydrazide has a molecular weight of 307.58 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,2,2-trifluoroacetohydrazide is sourced from PubChem (CID 88729617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).