4-(trifluoromethyl)pyridine-2-carbohydrazide

C7H6F3N3O — CID 90455852

IUPAC4-(trifluoromethyl)pyridine-2-carbohydrazide
SMILESNNC(=O)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C7H6F3N3O/c8-7(9,10)4-1-2-12-5(3-4)6(14)13-11/h1-3H,11H2,(H,13,14)
InChIKeyLQVMJPVUMXUMRY-UHFFFAOYSA-N
MW205.14 g/mol
LogP0.70
Rot. Bonds1

About 4-(trifluoromethyl)pyridine-2-carbohydrazide

4-(trifluoromethyl)pyridine-2-carbohydrazide (PubChem CID 90455852) has the molecular formula C7H6F3N3O and a molecular weight of 205.14 g/mol. Its IUPAC name is 4-(trifluoromethyl)pyridine-2-carbohydrazide.

Molecular Properties

Compound Name4-(trifluoromethyl)pyridine-2-carbohydrazide
PubChem CID90455852
Molecular FormulaC7H6F3N3O
Molecular Weight205.14 g/mol
Exact Mass205.05
IUPAC Name4-(trifluoromethyl)pyridine-2-carbohydrazide
SMILESNNC(=O)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C7H6F3N3O/c8-7(9,10)4-1-2-12-5(3-4)6(14)13-11/h1-3H,11H2,(H,13,14)
InChIKeyLQVMJPVUMXUMRY-UHFFFAOYSA-N
XLogP0.70
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-(trifluoromethyl)pyridine-2-carbohydrazide?
The IUPAC name of 4-(trifluoromethyl)pyridine-2-carbohydrazide (CID 90455852) is 4-(trifluoromethyl)pyridine-2-carbohydrazide.
What is the SMILES notation for 4-(trifluoromethyl)pyridine-2-carbohydrazide?
The canonical SMILES for 4-(trifluoromethyl)pyridine-2-carbohydrazide is NNC(=O)c1cc(C(F)(F)F)ccn1.
What is the InChIKey of 4-(trifluoromethyl)pyridine-2-carbohydrazide?
The InChIKey is LQVMJPVUMXUMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O/c8-7(9,10)4-1-2-12-5(3-4)6(14)13-11/h1-3H,11H2,(H,13,14).
What are the key properties of 4-(trifluoromethyl)pyridine-2-carbohydrazide?
4-(trifluoromethyl)pyridine-2-carbohydrazide has a molecular weight of 205.14 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)pyridine-2-carbohydrazide is sourced from PubChem (CID 90455852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).