2-sulfanylidene-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide

C8H7F3N2OS — CID 18167685

IUPAC2-sulfanylidene-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc[nH]c1=S
InChIInChI=1S/C8H7F3N2OS/c9-8(10,11)4-13-6(14)5-2-1-3-12-7(5)15/h1-3H,4H2,(H,12,15)(H,13,14)
InChIKeyOLVLRFNJDYUFFX-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.04
Rot. Bonds2

About 2-sulfanylidene-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide

2-sulfanylidene-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide (PubChem CID 18167685) has the molecular formula C8H7F3N2OS and a molecular weight of 236.22 g/mol. Its IUPAC name is 2-sulfanylidene-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-sulfanylidene-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
PubChem CID18167685
Molecular FormulaC8H7F3N2OS
Molecular Weight236.22 g/mol
Exact Mass236.02
IUPAC Name2-sulfanylidene-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc[nH]c1=S
InChIInChI=1S/C8H7F3N2OS/c9-8(10,11)4-13-6(14)5-2-1-3-12-7(5)15/h1-3H,4H2,(H,12,15)(H,13,14)
InChIKeyOLVLRFNJDYUFFX-UHFFFAOYSA-N
XLogP2.04
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-sulfanylidene-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Hydroxypyridine-3-carbothioamide
CID 43165067
3-[2-Oxo-3-(trifluoromethyl)pyridin-1(2H)-yl]propanethioamide
CID 2746181
N-butyl-2-sulfanyl-pyridine-3-carboxamide
CID 4117619
N-propyl-2-sulfanyl-pyridine-3-carboxamide
CID 6096780
2-Mercaptonicotinamide
CID 4143093
2-sulfanylidene-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 90271772
2-sulfanylidene-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide
CID 36279762
2-oxo-N-(2,2,2-trifluoroethyl)-1,2-dihydropyridine-3-carboxamide
CID 45497127
(2-sulfanylidene-1H-pyridin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 47140710
3,3,3-Trifluoro-2-[(2-oxo-1-pyridinyl)methyl]propanethioamide
CID 103368879
3,3,3-Trifluoro-2-[(3-methyl-2-oxo-1-pyridinyl)methyl]propanethioamide
CID 103368937
3-(Aminomethyl)-1-(2,2,2-trifluoroethyl)-1,2-dihydropyridin-2-one
CID 107017505

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylidene-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-sulfanylidene-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide (CID 18167685) is 2-sulfanylidene-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-sulfanylidene-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-sulfanylidene-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide is O=C(NCC(F)(F)F)c1ccc[nH]c1=S.
What is the InChIKey of 2-sulfanylidene-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The InChIKey is OLVLRFNJDYUFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2OS/c9-8(10,11)4-13-6(14)5-2-1-3-12-7(5)15/h1-3H,4H2,(H,12,15)(H,13,14).
What are the key properties of 2-sulfanylidene-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
2-sulfanylidene-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide has a molecular weight of 236.22 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 18167685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).