N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-4-carbohydrazide

C13H12F3N3O2 — CID 3107165

IUPACN'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-4-carbohydrazide
SMILESO=C(NNC1=C(C(=O)C(F)(F)F)CCC1)c1ccncc1
InChIInChI=1S/C13H12F3N3O2/c14-13(15,16)11(20)9-2-1-3-10(9)18-19-12(21)8-4-6-17-7-5-8/h4-7,18H,1-3H2,(H,19,21)
InChIKeySPCCTFNQBGZVSG-UHFFFAOYSA-N
MW299.25 g/mol
LogP1.89
Rot. Bonds4

About N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-4-carbohydrazide

N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-4-carbohydrazide (PubChem CID 3107165) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-4-carbohydrazide
PubChem CID3107165
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC NameN'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-4-carbohydrazide
SMILESO=C(NNC1=C(C(=O)C(F)(F)F)CCC1)c1ccncc1
InChIInChI=1S/C13H12F3N3O2/c14-13(15,16)11(20)9-2-1-3-10(9)18-19-12(21)8-4-6-17-7-5-8/h4-7,18H,1-3H2,(H,19,21)
InChIKeySPCCTFNQBGZVSG-UHFFFAOYSA-N
XLogP1.89
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 51.89
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'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-4-carbohydrazide (CID 3107165) is N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-4-carbohydrazide is O=C(NNC1=C(C(=O)C(F)(F)F)CCC1)c1ccncc1.
What is the InChIKey of N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-4-carbohydrazide?
The InChIKey is SPCCTFNQBGZVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c14-13(15,16)11(20)9-2-1-3-10(9)18-19-12(21)8-4-6-17-7-5-8/h4-7,18H,1-3H2,(H,19,21).
What are the key properties of N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-4-carbohydrazide?
N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-4-carbohydrazide has a molecular weight of 299.25 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-4-carbohydrazide is sourced from PubChem (CID 3107165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).