3,4-dichloro-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide

C13H8Cl2F3N3O — CID 599570

IUPAC3,4-dichloro-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
SMILESO=C(NNc1cc(C(F)(F)F)ccn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl2F3N3O/c14-9-2-1-7(5-10(9)15)12(22)21-20-11-6-8(3-4-19-11)13(16,17)18/h1-6H,(H,19,20)(H,21,22)
InChIKeyWQWLRFPKHRIFOR-UHFFFAOYSA-N
MW350.13 g/mol
LogP4.16
Rot. Bonds3

About 3,4-dichloro-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide

3,4-dichloro-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide (PubChem CID 599570) has the molecular formula C13H8Cl2F3N3O and a molecular weight of 350.13 g/mol. Its IUPAC name is 3,4-dichloro-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide.

Molecular Properties

Compound Name3,4-dichloro-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
PubChem CID599570
Molecular FormulaC13H8Cl2F3N3O
Molecular Weight350.13 g/mol
Exact Mass349.00
IUPAC Name3,4-dichloro-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
SMILESO=C(NNc1cc(C(F)(F)F)ccn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl2F3N3O/c14-9-2-1-7(5-10(9)15)12(22)21-20-11-6-8(3-4-19-11)13(16,17)18/h1-6H,(H,19,20)(H,21,22)
InChIKeyWQWLRFPKHRIFOR-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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Related Compounds

3-(trifluoromethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
CID 599454
4-hydroxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118623339
3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 70790724
3,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496972
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
4-chloro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
CID 2805711
N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 115626766
4-bromo-3-(1,1-difluoroethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 86727855
3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 90303181
4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzoic acid
CID 66328048
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673432
N'-(3-hydroxybenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 17393057

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
The IUPAC name of 3,4-dichloro-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide (CID 599570) is 3,4-dichloro-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide.
What is the SMILES notation for 3,4-dichloro-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
The canonical SMILES for 3,4-dichloro-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide is O=C(NNc1cc(C(F)(F)F)ccn1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
The InChIKey is WQWLRFPKHRIFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3N3O/c14-9-2-1-7(5-10(9)15)12(22)21-20-11-6-8(3-4-19-11)13(16,17)18/h1-6H,(H,19,20)(H,21,22).
What are the key properties of 3,4-dichloro-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
3,4-dichloro-N'-[4-(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 3,4-dichloro-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide is sourced from PubChem (CID 599570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).