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

C14H9F6N3O — CID 599454

IUPAC3-(trifluoromethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
SMILESO=C(NNc1cc(C(F)(F)F)ccn1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9F6N3O/c15-13(16,17)9-3-1-2-8(6-9)12(24)23-22-11-7-10(4-5-21-11)14(18,19)20/h1-7H,(H,21,22)(H,23,24)
InChIKeyHRRSMCYVNFJQAS-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.88
Rot. Bonds3

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

3-(trifluoromethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide (PubChem CID 599454) has the molecular formula C14H9F6N3O and a molecular weight of 349.23 g/mol. Its IUPAC name is 3-(trifluoromethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide.

Molecular Properties

Compound Name3-(trifluoromethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
PubChem CID599454
Molecular FormulaC14H9F6N3O
Molecular Weight349.23 g/mol
Exact Mass349.06
IUPAC Name3-(trifluoromethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
SMILESO=C(NNc1cc(C(F)(F)F)ccn1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9F6N3O/c15-13(16,17)9-3-1-2-8(6-9)12(24)23-22-11-7-10(4-5-21-11)14(18,19)20/h1-7H,(H,21,22)(H,23,24)
InChIKeyHRRSMCYVNFJQAS-UHFFFAOYSA-N
XLogP3.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.88
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

3,4-dichloro-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
CID 599570
N'-(3-hydroxybenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 17393057
3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 90303181
N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 115626766
4-hydroxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118623339
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 70790724
2-methyl-N'-[3-(trifluoromethyl)benzoyl]furan-3-carbohydrazide
CID 27171508
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
N'-[3-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
CID 7979324
N'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 7925712
N'-(1-adamantyl)-3-(trifluoromethyl)benzohydrazide
CID 134093435

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
The IUPAC name of 3-(trifluoromethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide (CID 599454) is 3-(trifluoromethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide.
What is the SMILES notation for 3-(trifluoromethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
The canonical SMILES for 3-(trifluoromethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide is O=C(NNc1cc(C(F)(F)F)ccn1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(trifluoromethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
The InChIKey is HRRSMCYVNFJQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N3O/c15-13(16,17)9-3-1-2-8(6-9)12(24)23-22-11-7-10(4-5-21-11)14(18,19)20/h1-7H,(H,21,22)(H,23,24).
What are the key properties of 3-(trifluoromethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
3-(trifluoromethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide has a molecular weight of 349.23 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide is sourced from PubChem (CID 599454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).