N'-(4-fluorophenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide

C19H13F4N3O2 — CID 118039692

IUPACN'-(4-fluorophenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide
SMILESO=C(NNc1ccc(F)cc1)c1ccc(=O)n(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H13F4N3O2/c20-14-4-6-15(7-5-14)24-25-18(28)12-1-10-17(27)26(11-12)16-8-2-13(3-9-16)19(21,22)23/h1-11,24H,(H,25,28)
InChIKeyZGQFJIVDBMGVTF-UHFFFAOYSA-N
MW391.32 g/mol
LogP3.75
Rot. Bonds4

About N'-(4-fluorophenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide

N'-(4-fluorophenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide (PubChem CID 118039692) has the molecular formula C19H13F4N3O2 and a molecular weight of 391.32 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide
PubChem CID118039692
Molecular FormulaC19H13F4N3O2
Molecular Weight391.32 g/mol
Exact Mass391.09
IUPAC NameN'-(4-fluorophenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide
SMILESO=C(NNc1ccc(F)cc1)c1ccc(=O)n(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H13F4N3O2/c20-14-4-6-15(7-5-14)24-25-18(28)12-1-10-17(27)26(11-12)16-8-2-13(3-9-16)19(21,22)23/h1-11,24H,(H,25,28)
InChIKeyZGQFJIVDBMGVTF-UHFFFAOYSA-N
XLogP3.75
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N'-(4-fluorophenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-(4-fluorophenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide (CID 118039692) is N'-(4-fluorophenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(4-fluorophenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-(4-fluorophenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide is O=C(NNc1ccc(F)cc1)c1ccc(=O)n(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N'-(4-fluorophenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide?
The InChIKey is ZGQFJIVDBMGVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N3O2/c20-14-4-6-15(7-5-14)24-25-18(28)12-1-10-17(27)26(11-12)16-8-2-13(3-9-16)19(21,22)23/h1-11,24H,(H,25,28).
What are the key properties of N'-(4-fluorophenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide?
N'-(4-fluorophenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide has a molecular weight of 391.32 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 118039692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).