N'-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]thiophene-2-carbohydrazide

C13H9ClF3N3O3S — CID 9103853

IUPACN'-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]thiophene-2-carbohydrazide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NNC(=O)c1cccs1
InChIInChI=1S/C13H9ClF3N3O3S/c14-8-4-7(13(15,16)17)5-20(12(8)23)6-10(21)18-19-11(22)9-2-1-3-24-9/h1-5H,6H2,(H,18,21)(H,19,22)
InChIKeyFBXLVTBVKSLEHW-UHFFFAOYSA-N
MW379.75 g/mol
LogP2.04
Rot. Bonds3

About N'-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]thiophene-2-carbohydrazide

N'-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]thiophene-2-carbohydrazide (PubChem CID 9103853) has the molecular formula C13H9ClF3N3O3S and a molecular weight of 379.75 g/mol. Its IUPAC name is N'-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]thiophene-2-carbohydrazide
PubChem CID9103853
Molecular FormulaC13H9ClF3N3O3S
Molecular Weight379.75 g/mol
Exact Mass379.00
IUPAC NameN'-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]thiophene-2-carbohydrazide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NNC(=O)c1cccs1
InChIInChI=1S/C13H9ClF3N3O3S/c14-8-4-7(13(15,16)17)5-20(12(8)23)6-10(21)18-19-11(22)9-2-1-3-24-9/h1-5H,6H2,(H,18,21)(H,19,22)
InChIKeyFBXLVTBVKSLEHW-UHFFFAOYSA-N
XLogP2.04
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.75
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]thiophene-2-carbohydrazide (CID 9103853) is N'-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]thiophene-2-carbohydrazide is O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NNC(=O)c1cccs1.
What is the InChIKey of N'-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]thiophene-2-carbohydrazide?
The InChIKey is FBXLVTBVKSLEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N3O3S/c14-8-4-7(13(15,16)17)5-20(12(8)23)6-10(21)18-19-11(22)9-2-1-3-24-9/h1-5H,6H2,(H,18,21)(H,19,22).
What are the key properties of N'-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]thiophene-2-carbohydrazide?
N'-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]thiophene-2-carbohydrazide has a molecular weight of 379.75 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 9103853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).