2,4-dichloro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide

C13H8Cl2F3N3O — CID 599568

IUPAC2,4-dichloro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide
SMILESO=C(NNc1cccc(C(F)(F)F)n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl2F3N3O/c14-7-4-5-8(9(15)6-7)12(22)21-20-11-3-1-2-10(19-11)13(16,17)18/h1-6H,(H,19,20)(H,21,22)
InChIKeyLYMHIQJOSVTZCJ-UHFFFAOYSA-N
MW350.13 g/mol
LogP4.16
Rot. Bonds3

About 2,4-dichloro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide

2,4-dichloro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide (PubChem CID 599568) has the molecular formula C13H8Cl2F3N3O and a molecular weight of 350.13 g/mol. Its IUPAC name is 2,4-dichloro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide.

Molecular Properties

Compound Name2,4-dichloro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide
PubChem CID599568
Molecular FormulaC13H8Cl2F3N3O
Molecular Weight350.13 g/mol
Exact Mass349.00
IUPAC Name2,4-dichloro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide
SMILESO=C(NNc1cccc(C(F)(F)F)n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl2F3N3O/c14-7-4-5-8(9(15)6-7)12(22)21-20-11-3-1-2-10(19-11)13(16,17)18/h1-6H,(H,19,20)(H,21,22)
InChIKeyLYMHIQJOSVTZCJ-UHFFFAOYSA-N
XLogP4.16
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.13
LogP ≤ 54.16
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 2,4-dichloro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
The IUPAC name of 2,4-dichloro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide (CID 599568) is 2,4-dichloro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide.
What is the SMILES notation for 2,4-dichloro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
The canonical SMILES for 2,4-dichloro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide is O=C(NNc1cccc(C(F)(F)F)n1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
The InChIKey is LYMHIQJOSVTZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3N3O/c14-7-4-5-8(9(15)6-7)12(22)21-20-11-3-1-2-10(19-11)13(16,17)18/h1-6H,(H,19,20)(H,21,22).
What are the key properties of 2,4-dichloro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
2,4-dichloro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide has a molecular weight of 350.13 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide is sourced from PubChem (CID 599568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).