2-methyl-N'-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide

C13H10F3N3O2S — CID 2795900

IUPAC2-methyl-N'-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C13H10F3N3O2S/c1-7-8(4-5-10(17-7)13(14,15)16)11(20)18-19-12(21)9-3-2-6-22-9/h2-6H,1H3,(H,18,20)(H,19,21)
InChIKeyTTYKWACOQTXUDE-UHFFFAOYSA-N
MW329.30 g/mol
LogP2.55
Rot. Bonds2

About 2-methyl-N'-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide

2-methyl-N'-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide (PubChem CID 2795900) has the molecular formula C13H10F3N3O2S and a molecular weight of 329.30 g/mol. Its IUPAC name is 2-methyl-N'-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-N'-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide
PubChem CID2795900
Molecular FormulaC13H10F3N3O2S
Molecular Weight329.30 g/mol
Exact Mass329.04
IUPAC Name2-methyl-N'-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C13H10F3N3O2S/c1-7-8(4-5-10(17-7)13(14,15)16)11(20)18-19-12(21)9-3-2-6-22-9/h2-6H,1H3,(H,18,20)(H,19,21)
InChIKeyTTYKWACOQTXUDE-UHFFFAOYSA-N
XLogP2.55
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 52.55
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 2-methyl-N'-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide?
The IUPAC name of 2-methyl-N'-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide (CID 2795900) is 2-methyl-N'-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide.
What is the SMILES notation for 2-methyl-N'-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide?
The canonical SMILES for 2-methyl-N'-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide is Cc1nc(C(F)(F)F)ccc1C(=O)NNC(=O)c1cccs1.
What is the InChIKey of 2-methyl-N'-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide?
The InChIKey is TTYKWACOQTXUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O2S/c1-7-8(4-5-10(17-7)13(14,15)16)11(20)18-19-12(21)9-3-2-6-22-9/h2-6H,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-methyl-N'-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide?
2-methyl-N'-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide has a molecular weight of 329.30 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 2795900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).