2-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide

C14H12F3N3S — CID 79875370

IUPAC2-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1Sc1ccc(C)cc1
InChIInChI=1S/C14H12F3N3S/c1-8-2-4-9(5-3-8)21-13-10(12(18)19)6-7-11(20-13)14(15,16)17/h2-7H,1H3,(H3,18,19)
InChIKeyBWUAZDYXEXKKBW-UHFFFAOYSA-N
MW311.33 g/mol
LogP3.84
Rot. Bonds3

About 2-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide

2-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide (PubChem CID 79875370) has the molecular formula C14H12F3N3S and a molecular weight of 311.33 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
PubChem CID79875370
Molecular FormulaC14H12F3N3S
Molecular Weight311.33 g/mol
Exact Mass311.07
IUPAC Name2-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1Sc1ccc(C)cc1
InChIInChI=1S/C14H12F3N3S/c1-8-2-4-9(5-3-8)21-13-10(12(18)19)6-7-11(20-13)14(15,16)17/h2-7H,1H3,(H3,18,19)
InChIKeyBWUAZDYXEXKKBW-UHFFFAOYSA-N
XLogP3.84
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(1-methylpyrazol-4-yl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79876803
2-(3-chlorophenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875519
2-(3-bromophenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875521
2-(3-methylbutan-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 107750057
2-(3-methylbutylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 107750158
4-(4-methylphenyl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide
CID 43320980
2-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877275
2-(2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875024
4-chloro-2-(4-methylphenyl)sulfanylbenzenecarboximidamide
CID 55179845
2-(1-methoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877401
2-[2,2-dimethylpropyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877396
2-[methyl(2,2,2-trifluoroethyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877125

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide (CID 79875370) is 2-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(C(F)(F)F)nc1Sc1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide?
The InChIKey is BWUAZDYXEXKKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3S/c1-8-2-4-9(5-3-8)21-13-10(12(18)19)6-7-11(20-13)14(15,16)17/h2-7H,1H3,(H3,18,19).
What are the key properties of 2-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide?
2-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide has a molecular weight of 311.33 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 79875370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).