6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbohydrazide

C14H12F3N3O2 — CID 2766575

IUPAC6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbohydrazide
SMILESNNC(=O)c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H12F3N3O2/c15-14(16,17)11-3-1-2-9(6-11)7-20-8-10(13(22)19-18)4-5-12(20)21/h1-6,8H,7,18H2,(H,19,22)
InChIKeyCSMBIYBHKMGQIU-UHFFFAOYSA-N
MW311.26 g/mol
LogP1.52
Rot. Bonds3

About 6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbohydrazide

6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbohydrazide (PubChem CID 2766575) has the molecular formula C14H12F3N3O2 and a molecular weight of 311.26 g/mol. Its IUPAC name is 6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbohydrazide
PubChem CID2766575
Molecular FormulaC14H12F3N3O2
Molecular Weight311.26 g/mol
Exact Mass311.09
IUPAC Name6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbohydrazide
SMILESNNC(=O)c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H12F3N3O2/c15-14(16,17)11-3-1-2-9(6-11)7-20-8-10(13(22)19-18)4-5-12(20)21/h1-6,8H,7,18H2,(H,19,22)
InChIKeyCSMBIYBHKMGQIU-UHFFFAOYSA-N
XLogP1.52
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbohydrazide?
The IUPAC name of 6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbohydrazide (CID 2766575) is 6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbohydrazide.
What is the SMILES notation for 6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbohydrazide?
The canonical SMILES for 6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbohydrazide is NNC(=O)c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbohydrazide?
The InChIKey is CSMBIYBHKMGQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2/c15-14(16,17)11-3-1-2-9(6-11)7-20-8-10(13(22)19-18)4-5-12(20)21/h1-6,8H,7,18H2,(H,19,22).
What are the key properties of 6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbohydrazide?
6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbohydrazide has a molecular weight of 311.26 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 2766575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).