2-sulfanylidene-5-(trifluoromethyl)-1H-pyridine-3-carboxamide

C7H5F3N2OS — CID 90271772

IUPAC2-sulfanylidene-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNC(=O)c1cc(C(F)(F)F)c[nH]c1=S
InChIInChI=1S/C7H5F3N2OS/c8-7(9,10)3-1-4(5(11)13)6(14)12-2-3/h1-2H,(H2,11,13)(H,12,14)
InChIKeyJNZDGFOYIAENDA-UHFFFAOYSA-N
MW222.19 g/mol
LogP1.86
Rot. Bonds1

About 2-sulfanylidene-5-(trifluoromethyl)-1H-pyridine-3-carboxamide

2-sulfanylidene-5-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 90271772) has the molecular formula C7H5F3N2OS and a molecular weight of 222.19 g/mol. Its IUPAC name is 2-sulfanylidene-5-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-sulfanylidene-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID90271772
Molecular FormulaC7H5F3N2OS
Molecular Weight222.19 g/mol
Exact Mass222.01
IUPAC Name2-sulfanylidene-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNC(=O)c1cc(C(F)(F)F)c[nH]c1=S
InChIInChI=1S/C7H5F3N2OS/c8-7(9,10)3-1-4(5(11)13)6(14)12-2-3/h1-2H,(H2,11,13)(H,12,14)
InChIKeyJNZDGFOYIAENDA-UHFFFAOYSA-N
XLogP1.86
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxy-5-(trifluoromethyl)nicotinamide
CID 131190497
2-sulfanylidene-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 18167685
3-(Aminomethyl)-5-(trifluoromethyl)pyridin-2-ol
CID 84103230
5-(aminomethyl)-3-(trifluoromethyl)-1H-pyridin-2-one
CID 119053979
3-(aminomethyl)-5-(difluoromethyl)-4-fluoro-1H-pyridin-2-one
CID 130079387
3-(aminomethyl)-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one
CID 130079389
3-(aminomethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 130097019
5-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide
CID 130097263
5-(Trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 162568488
4,5-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 174881331

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylidene-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-sulfanylidene-5-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 90271772) is 2-sulfanylidene-5-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-sulfanylidene-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-sulfanylidene-5-(trifluoromethyl)-1H-pyridine-3-carboxamide is NC(=O)c1cc(C(F)(F)F)c[nH]c1=S.
What is the InChIKey of 2-sulfanylidene-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is JNZDGFOYIAENDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2OS/c8-7(9,10)3-1-4(5(11)13)6(14)12-2-3/h1-2H,(H2,11,13)(H,12,14).
What are the key properties of 2-sulfanylidene-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-sulfanylidene-5-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 222.19 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-5-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 90271772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).