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

C14H10F5N3O — CID 4288283

IUPAC2,6-difluoro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
SMILESCc1cc(C(F)(F)F)cc(NNC(=O)c2c(F)cccc2F)n1
InChIInChI=1S/C14H10F5N3O/c1-7-5-8(14(17,18)19)6-11(20-7)21-22-13(23)12-9(15)3-2-4-10(12)16/h2-6H,1H3,(H,20,21)(H,22,23)
InChIKeyBOCMLUQJAAGDTF-UHFFFAOYSA-N
MW331.24 g/mol
LogP3.44
Rot. Bonds3

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

2,6-difluoro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide (PubChem CID 4288283) has the molecular formula C14H10F5N3O and a molecular weight of 331.24 g/mol. Its IUPAC name is 2,6-difluoro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide.

Molecular Properties

Compound Name2,6-difluoro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
PubChem CID4288283
Molecular FormulaC14H10F5N3O
Molecular Weight331.24 g/mol
Exact Mass331.07
IUPAC Name2,6-difluoro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
SMILESCc1cc(C(F)(F)F)cc(NNC(=O)c2c(F)cccc2F)n1
InChIInChI=1S/C14H10F5N3O/c1-7-5-8(14(17,18)19)6-11(20-7)21-22-13(23)12-9(15)3-2-4-10(12)16/h2-6H,1H3,(H,20,21)(H,22,23)
InChIKeyBOCMLUQJAAGDTF-UHFFFAOYSA-N
XLogP3.44
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 53.44
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-difluoro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
The IUPAC name of 2,6-difluoro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide (CID 4288283) is 2,6-difluoro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide.
What is the SMILES notation for 2,6-difluoro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
The canonical SMILES for 2,6-difluoro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide is Cc1cc(C(F)(F)F)cc(NNC(=O)c2c(F)cccc2F)n1.
What is the InChIKey of 2,6-difluoro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
The InChIKey is BOCMLUQJAAGDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5N3O/c1-7-5-8(14(17,18)19)6-11(20-7)21-22-13(23)12-9(15)3-2-4-10(12)16/h2-6H,1H3,(H,20,21)(H,22,23).
What are the key properties of 2,6-difluoro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
2,6-difluoro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide has a molecular weight of 331.24 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide is sourced from PubChem (CID 4288283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).