2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide

C9H8F4N2OS — CID 107358720

IUPAC2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCSC(F)(F)F)c1cccnc1F
InChIInChI=1S/C9H8F4N2OS/c10-7-6(2-1-3-14-7)8(16)15-4-5-17-9(11,12)13/h1-3H,4-5H2,(H,15,16)
InChIKeyUODRCHOGJTVUKZ-UHFFFAOYSA-N
MW268.23 g/mol
LogP2.20
Rot. Bonds4

About 2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide

2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide (PubChem CID 107358720) has the molecular formula C9H8F4N2OS and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
PubChem CID107358720
Molecular FormulaC9H8F4N2OS
Molecular Weight268.23 g/mol
Exact Mass268.03
IUPAC Name2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCSC(F)(F)F)c1cccnc1F
InChIInChI=1S/C9H8F4N2OS/c10-7-6(2-1-3-14-7)8(16)15-4-5-17-9(11,12)13/h1-3H,4-5H2,(H,15,16)
InChIKeyUODRCHOGJTVUKZ-UHFFFAOYSA-N
XLogP2.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]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-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 114188299
N-(2-ethylsulfonylethyl)-2-fluoropyridine-3-carboxamide
CID 107358822
2-fluoro-N-(4-methoxybutyl)pyridine-3-carboxamide
CID 107358712
6-[(2-fluoropyridine-3-carbonyl)amino]hexanoic acid
CID 114037457
5-bromo-2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 113223361
2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 107362791
2-amino-3-nitro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 103732898
2-fluoro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 107358352
N-tert-butyl-2-fluoropyridine-3-carboxamide
CID 83405548
N-(2-methylsulfanylethyl)-2-[3-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 58451928
2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 107358424
2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 107358475

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide (CID 107358720) is 2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide is O=C(NCCSC(F)(F)F)c1cccnc1F.
What is the InChIKey of 2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide?
The InChIKey is UODRCHOGJTVUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4N2OS/c10-7-6(2-1-3-14-7)8(16)15-4-5-17-9(11,12)13/h1-3H,4-5H2,(H,15,16).
What are the key properties of 2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide?
2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide has a molecular weight of 268.23 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 107358720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).