N'-(thiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide

C13H10F3N3O3S — CID 31857793

IUPACN'-(thiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cccnc1OCC(F)(F)F)c1cccs1
InChIInChI=1S/C13H10F3N3O3S/c14-13(15,16)7-22-12-8(3-1-5-17-12)10(20)18-19-11(21)9-4-2-6-23-9/h1-6H,7H2,(H,18,20)(H,19,21)
InChIKeyVEFLYFRAJRSLBO-UHFFFAOYSA-N
MW345.30 g/mol
LogP2.16
Rot. Bonds4

About N'-(thiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide

N'-(thiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide (PubChem CID 31857793) has the molecular formula C13H10F3N3O3S and a molecular weight of 345.30 g/mol. Its IUPAC name is N'-(thiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(thiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
PubChem CID31857793
Molecular FormulaC13H10F3N3O3S
Molecular Weight345.30 g/mol
Exact Mass345.04
IUPAC NameN'-(thiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cccnc1OCC(F)(F)F)c1cccs1
InChIInChI=1S/C13H10F3N3O3S/c14-13(15,16)7-22-12-8(3-1-5-17-12)10(20)18-19-11(21)9-4-2-6-23-9/h1-6H,7H2,(H,18,20)(H,19,21)
InChIKeyVEFLYFRAJRSLBO-UHFFFAOYSA-N
XLogP2.16
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 52.16
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'-(thiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide?
The IUPAC name of N'-(thiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide (CID 31857793) is N'-(thiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(thiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide?
The canonical SMILES for N'-(thiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide is O=C(NNC(=O)c1cccnc1OCC(F)(F)F)c1cccs1.
What is the InChIKey of N'-(thiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide?
The InChIKey is VEFLYFRAJRSLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O3S/c14-13(15,16)7-22-12-8(3-1-5-17-12)10(20)18-19-11(21)9-4-2-6-23-9/h1-6H,7H2,(H,18,20)(H,19,21).
What are the key properties of N'-(thiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide?
N'-(thiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide has a molecular weight of 345.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(thiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide is sourced from PubChem (CID 31857793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).