2,6-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzohydrazide

C13H7Cl3F3N3O — CID 5135020

IUPAC2,6-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzohydrazide
SMILESO=C(NNc1ncc(C(F)(F)F)cc1Cl)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H7Cl3F3N3O/c14-7-2-1-3-8(15)10(7)12(23)22-21-11-9(16)4-6(5-20-11)13(17,18)19/h1-5H,(H,20,21)(H,22,23)
InChIKeyKNZGPDDPLZNEPU-UHFFFAOYSA-N
MW384.57 g/mol
LogP4.82
Rot. Bonds3

About 2,6-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzohydrazide

2,6-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzohydrazide (PubChem CID 5135020) has the molecular formula C13H7Cl3F3N3O and a molecular weight of 384.57 g/mol. Its IUPAC name is 2,6-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzohydrazide.

Molecular Properties

Compound Name2,6-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzohydrazide
PubChem CID5135020
Molecular FormulaC13H7Cl3F3N3O
Molecular Weight384.57 g/mol
Exact Mass382.96
IUPAC Name2,6-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzohydrazide
SMILESO=C(NNc1ncc(C(F)(F)F)cc1Cl)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H7Cl3F3N3O/c14-7-2-1-3-8(15)10(7)12(23)22-21-11-9(16)4-6(5-20-11)13(17,18)19/h1-5H,(H,20,21)(H,22,23)
InChIKeyKNZGPDDPLZNEPU-UHFFFAOYSA-N
XLogP4.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 54.82
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 2,6-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
The IUPAC name of 2,6-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzohydrazide (CID 5135020) is 2,6-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzohydrazide.
What is the SMILES notation for 2,6-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
The canonical SMILES for 2,6-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzohydrazide is O=C(NNc1ncc(C(F)(F)F)cc1Cl)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
The InChIKey is KNZGPDDPLZNEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3F3N3O/c14-7-2-1-3-8(15)10(7)12(23)22-21-11-9(16)4-6(5-20-11)13(17,18)19/h1-5H,(H,20,21)(H,22,23).
What are the key properties of 2,6-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
2,6-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzohydrazide has a molecular weight of 384.57 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzohydrazide is sourced from PubChem (CID 5135020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).