N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-3-carbohydrazide

C13H12F3N3O2 — CID 2858266

IUPACN'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-3-carbohydrazide
SMILESO=C(NNC1=C(C(=O)C(F)(F)F)CCC1)c1cccnc1
InChIInChI=1S/C13H12F3N3O2/c14-13(15,16)11(20)9-4-1-5-10(9)18-19-12(21)8-3-2-6-17-7-8/h2-3,6-7,18H,1,4-5H2,(H,19,21)
InChIKeySGWMVWXSVVGWKZ-UHFFFAOYSA-N
MW299.25 g/mol
LogP1.89
Rot. Bonds4

About N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-3-carbohydrazide

N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-3-carbohydrazide (PubChem CID 2858266) 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-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-3-carbohydrazide
PubChem CID2858266
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC NameN'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-3-carbohydrazide
SMILESO=C(NNC1=C(C(=O)C(F)(F)F)CCC1)c1cccnc1
InChIInChI=1S/C13H12F3N3O2/c14-13(15,16)11(20)9-4-1-5-10(9)18-19-12(21)8-3-2-6-17-7-8/h2-3,6-7,18H,1,4-5H2,(H,19,21)
InChIKeySGWMVWXSVVGWKZ-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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Related Compounds

N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide
CID 3147009
N'-pyridin-2-ylpyridine-3-carbohydrazide
CID 69416476
N'-(2-amino-2-methylpropanoyl)pyridine-3-carbohydrazide
CID 67519841
N-[2-(2,6-dioxocyclohexyl)propan-2-yl]pyridine-3-carboxamide
CID 17333819
N'-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151889
N'-(2,4,6-trichlorophenyl)pyridine-3-carbohydrazide
CID 47099649
pyridine-3-carbohydrazide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 161305630
nickel;pyridine-3-carboxylic acid
CID 174049937
3-methyl-4-oxo-N'-(pyridine-3-carbonyl)-1,5,6,7-tetrahydroindole-2-carbohydrazide
CID 35016480
N'-(4-iodobenzoyl)pyridine-3-carbohydrazide
CID 19166393
N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 91045435
N-methylpyridine-3-carboxamide chloride
CID 20976730

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-3-carbohydrazide (CID 2858266) is N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-3-carbohydrazide is O=C(NNC1=C(C(=O)C(F)(F)F)CCC1)c1cccnc1.
What is the InChIKey of N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-3-carbohydrazide?
The InChIKey is SGWMVWXSVVGWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c14-13(15,16)11(20)9-4-1-5-10(9)18-19-12(21)8-3-2-6-17-7-8/h2-3,6-7,18H,1,4-5H2,(H,19,21).
What are the key properties of N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-3-carbohydrazide?
N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-3-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-3-carbohydrazide is sourced from PubChem (CID 2858266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).