2-methyl-6-[2-(trifluoromethyl)phenoxy]pyridine-4-carbothioamide

C14H11F3N2OS — CID 114768084

IUPAC2-methyl-6-[2-(trifluoromethyl)phenoxy]pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(Oc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H11F3N2OS/c1-8-6-9(13(18)21)7-12(19-8)20-11-5-3-2-4-10(11)14(15,16)17/h2-7H,1H3,(H2,18,21)
InChIKeyNADLIUQULXETFE-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.84
Rot. Bonds3

About 2-methyl-6-[2-(trifluoromethyl)phenoxy]pyridine-4-carbothioamide

2-methyl-6-[2-(trifluoromethyl)phenoxy]pyridine-4-carbothioamide (PubChem CID 114768084) has the molecular formula C14H11F3N2OS and a molecular weight of 312.32 g/mol. Its IUPAC name is 2-methyl-6-[2-(trifluoromethyl)phenoxy]pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-methyl-6-[2-(trifluoromethyl)phenoxy]pyridine-4-carbothioamide
PubChem CID114768084
Molecular FormulaC14H11F3N2OS
Molecular Weight312.32 g/mol
Exact Mass312.05
IUPAC Name2-methyl-6-[2-(trifluoromethyl)phenoxy]pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(Oc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H11F3N2OS/c1-8-6-9(13(18)21)7-12(19-8)20-11-5-3-2-4-10(11)14(15,16)17/h2-7H,1H3,(H2,18,21)
InChIKeyNADLIUQULXETFE-UHFFFAOYSA-N
XLogP3.84
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-naphthalen-1-yloxypyridine-4-carbothioamide
CID 114768114
2-(2-ethoxyphenoxy)-6-methylpyridine-4-carbothioamide
CID 114768094
4-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 80862420
2-methyl-6-quinolin-8-yloxypyridine-4-carbothioamide
CID 114768135
2-methyl-6-[2-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
CID 114766779
2-(2-methoxy-4-methylphenoxy)-6-methylpyridine-4-carbothioamide
CID 114768122
2-methyl-6-(3-methylsulfonylphenoxy)pyridine-4-carbothioamide
CID 114768173
2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbothioamide
CID 114768237
2-(2-fluoro-3-methylphenoxy)-6-methylpyridine-4-carboxylic acid
CID 107656799
2-methyl-6-(2-pyridin-2-ylethoxy)pyridine-4-carbothioamide
CID 114768153
N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]-6-methylpyridine-4-carboximidamide
CID 137013810
2-(2-methylphenoxy)pyridine-4-carbothioamide
CID 24710338

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(trifluoromethyl)phenoxy]pyridine-4-carbothioamide?
The IUPAC name of 2-methyl-6-[2-(trifluoromethyl)phenoxy]pyridine-4-carbothioamide (CID 114768084) is 2-methyl-6-[2-(trifluoromethyl)phenoxy]pyridine-4-carbothioamide.
What is the SMILES notation for 2-methyl-6-[2-(trifluoromethyl)phenoxy]pyridine-4-carbothioamide?
The canonical SMILES for 2-methyl-6-[2-(trifluoromethyl)phenoxy]pyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(Oc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-methyl-6-[2-(trifluoromethyl)phenoxy]pyridine-4-carbothioamide?
The InChIKey is NADLIUQULXETFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2OS/c1-8-6-9(13(18)21)7-12(19-8)20-11-5-3-2-4-10(11)14(15,16)17/h2-7H,1H3,(H2,18,21).
What are the key properties of 2-methyl-6-[2-(trifluoromethyl)phenoxy]pyridine-4-carbothioamide?
2-methyl-6-[2-(trifluoromethyl)phenoxy]pyridine-4-carbothioamide has a molecular weight of 312.32 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(trifluoromethyl)phenoxy]pyridine-4-carbothioamide is sourced from PubChem (CID 114768084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).