2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide

C10H10ClF3N2OS — CID 104952363

IUPAC2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCSC(F)(F)F)cc(Cl)n1
InChIInChI=1S/C10H10ClF3N2OS/c1-6-4-7(5-8(11)16-6)9(17)15-2-3-18-10(12,13)14/h4-5H,2-3H2,1H3,(H,15,17)
InChIKeyOLNGECHKQRFRLQ-UHFFFAOYSA-N
MW298.72 g/mol
LogP3.03
Rot. Bonds4

About 2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide

2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide (PubChem CID 104952363) has the molecular formula C10H10ClF3N2OS and a molecular weight of 298.72 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide
PubChem CID104952363
Molecular FormulaC10H10ClF3N2OS
Molecular Weight298.72 g/mol
Exact Mass298.02
IUPAC Name2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCSC(F)(F)F)cc(Cl)n1
InChIInChI=1S/C10H10ClF3N2OS/c1-6-4-7(5-8(11)16-6)9(17)15-2-3-18-10(12,13)14/h4-5H,2-3H2,1H3,(H,15,17)
InChIKeyOLNGECHKQRFRLQ-UHFFFAOYSA-N
XLogP3.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 53.03
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'}

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Related Compounds

2-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-methylpyridine-4-carboxamide
CID 104954990
2-chloro-N-ethyl-6-methylpyridine-4-carboxamide
CID 89150895
2-chloro-N-(3-hydroxypentyl)-6-methylpyridine-4-carboxamide
CID 113497559
2,6-dichloro-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 60693650
N-(5-amino-5-oxopentyl)-2-chloro-6-methylpyridine-4-carboxamide
CID 104955488
3,5-diamino-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 113228248
2-chloro-N-(2-cyclohexylethyl)-6-methylpyridine-4-carboxamide
CID 113378333
2-amino-6-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide
CID 106433006
5-chloro-6-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 106433045
2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378285
2-chloro-6-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
CID 104952518
2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115635819

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide (CID 104952363) is 2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide is Cc1cc(C(=O)NCCSC(F)(F)F)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide?
The InChIKey is OLNGECHKQRFRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2OS/c1-6-4-7(5-8(11)16-6)9(17)15-2-3-18-10(12,13)14/h4-5H,2-3H2,1H3,(H,15,17).
What are the key properties of 2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide?
2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide has a molecular weight of 298.72 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 104952363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).