3-chloro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide

C19H13ClF3N3O — CID 139224371

IUPAC3-chloro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
SMILESO=C(NNc1cc(C(F)(F)F)cc(-c2ccccc2)n1)c1cccc(Cl)c1
InChIInChI=1S/C19H13ClF3N3O/c20-15-8-4-7-13(9-15)18(27)26-25-17-11-14(19(21,22)23)10-16(24-17)12-5-2-1-3-6-12/h1-11H,(H,24,25)(H,26,27)
InChIKeySDEPLHILSHVUDK-UHFFFAOYSA-N
MW391.78 g/mol
LogP5.18
Rot. Bonds4

About 3-chloro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide

3-chloro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide (PubChem CID 139224371) has the molecular formula C19H13ClF3N3O and a molecular weight of 391.78 g/mol. Its IUPAC name is 3-chloro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
PubChem CID139224371
Molecular FormulaC19H13ClF3N3O
Molecular Weight391.78 g/mol
Exact Mass391.07
IUPAC Name3-chloro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
SMILESO=C(NNc1cc(C(F)(F)F)cc(-c2ccccc2)n1)c1cccc(Cl)c1
InChIInChI=1S/C19H13ClF3N3O/c20-15-8-4-7-13(9-15)18(27)26-25-17-11-14(19(21,22)23)10-16(24-17)12-5-2-1-3-6-12/h1-11H,(H,24,25)(H,26,27)
InChIKeySDEPLHILSHVUDK-UHFFFAOYSA-N
XLogP5.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.78
LogP ≤ 55.18
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 3-chloro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
The IUPAC name of 3-chloro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide (CID 139224371) is 3-chloro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide.
What is the SMILES notation for 3-chloro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
The canonical SMILES for 3-chloro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide is O=C(NNc1cc(C(F)(F)F)cc(-c2ccccc2)n1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
The InChIKey is SDEPLHILSHVUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N3O/c20-15-8-4-7-13(9-15)18(27)26-25-17-11-14(19(21,22)23)10-16(24-17)12-5-2-1-3-6-12/h1-11H,(H,24,25)(H,26,27).
What are the key properties of 3-chloro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
3-chloro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide has a molecular weight of 391.78 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide is sourced from PubChem (CID 139224371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).