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

C14H12F3N3O2 — CID 2764879

IUPAC2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbohydrazide
SMILESNNC(=O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C14H12F3N3O2/c15-14(16,17)10-4-1-3-9(7-10)8-20-6-2-5-11(13(20)22)12(21)19-18/h1-7H,8,18H2,(H,19,21)
InChIKeyNUNYWDGEXJZRQZ-UHFFFAOYSA-N
MW311.26 g/mol
LogP1.52
Rot. Bonds3

About 2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbohydrazide

2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbohydrazide (PubChem CID 2764879) has the molecular formula C14H12F3N3O2 and a molecular weight of 311.26 g/mol. Its IUPAC name is 2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbohydrazide
PubChem CID2764879
Molecular FormulaC14H12F3N3O2
Molecular Weight311.26 g/mol
Exact Mass311.09
IUPAC Name2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbohydrazide
SMILESNNC(=O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C14H12F3N3O2/c15-14(16,17)10-4-1-3-9(7-10)8-20-6-2-5-11(13(20)22)12(21)19-18/h1-7H,8,18H2,(H,19,21)
InChIKeyNUNYWDGEXJZRQZ-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 2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbohydrazide?
The IUPAC name of 2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbohydrazide (CID 2764879) is 2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbohydrazide.
What is the SMILES notation for 2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbohydrazide?
The canonical SMILES for 2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbohydrazide is NNC(=O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of 2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbohydrazide?
The InChIKey is NUNYWDGEXJZRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2/c15-14(16,17)10-4-1-3-9(7-10)8-20-6-2-5-11(13(20)22)12(21)19-18/h1-7H,8,18H2,(H,19,21).
What are the key properties of 2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbohydrazide?
2-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 2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 2764879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).