4-(2,5-difluorophenoxy)pyridine-2-carbothioamide

C12H8F2N2OS — CID 55167363

IUPAC4-(2,5-difluorophenoxy)pyridine-2-carbothioamide
SMILESNC(=S)c1cc(Oc2cc(F)ccc2F)ccn1
InChIInChI=1S/C12H8F2N2OS/c13-7-1-2-9(14)11(5-7)17-8-3-4-16-10(6-8)12(15)18/h1-6H,(H2,15,18)
InChIKeyDLIMXGYGVXHNKD-UHFFFAOYSA-N
MW266.27 g/mol
LogP2.79
Rot. Bonds3

About 4-(2,5-difluorophenoxy)pyridine-2-carbothioamide

4-(2,5-difluorophenoxy)pyridine-2-carbothioamide (PubChem CID 55167363) has the molecular formula C12H8F2N2OS and a molecular weight of 266.27 g/mol. Its IUPAC name is 4-(2,5-difluorophenoxy)pyridine-2-carbothioamide.

Molecular Properties

Compound Name4-(2,5-difluorophenoxy)pyridine-2-carbothioamide
PubChem CID55167363
Molecular FormulaC12H8F2N2OS
Molecular Weight266.27 g/mol
Exact Mass266.03
IUPAC Name4-(2,5-difluorophenoxy)pyridine-2-carbothioamide
SMILESNC(=S)c1cc(Oc2cc(F)ccc2F)ccn1
InChIInChI=1S/C12H8F2N2OS/c13-7-1-2-9(14)11(5-7)17-8-3-4-16-10(6-8)12(15)18/h1-6H,(H2,15,18)
InChIKeyDLIMXGYGVXHNKD-UHFFFAOYSA-N
XLogP2.79
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.79
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

4-(2-bromo-4-chlorophenoxy)pyridine-2-carbothioamide
CID 62924720
4-(2,5-difluorophenoxy)benzenecarbothioamide
CID 63269381
4-(2-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 135965068
4-(2-methylquinolin-8-yl)oxypyridine-2-carbothioamide
CID 62926639
4-(4-methoxyphenoxy)pyridine-2-carbothioamide
CID 62924380
4-methoxypyridine-2-carbothioamide
CID 62926631
4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid
CID 43325985
4-(4-chloro-2,6-dimethylphenoxy)pyridine-2-carbothioamide
CID 55154938
4-(3-methoxyphenoxy)pyridine-2-carbothioamide
CID 62925939
4-[(5-fluoro-2-methylphenoxy)methyl]pyridine-2-carbothioamide
CID 102981850
2-(2-chloro-5-fluorophenoxy)pyrimidine-4-carbothioamide
CID 114264252
4-[(2-bromo-4-fluorophenoxy)methyl]pyridine-2-carbothioamide
CID 63881141

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenoxy)pyridine-2-carbothioamide?
The IUPAC name of 4-(2,5-difluorophenoxy)pyridine-2-carbothioamide (CID 55167363) is 4-(2,5-difluorophenoxy)pyridine-2-carbothioamide.
What is the SMILES notation for 4-(2,5-difluorophenoxy)pyridine-2-carbothioamide?
The canonical SMILES for 4-(2,5-difluorophenoxy)pyridine-2-carbothioamide is NC(=S)c1cc(Oc2cc(F)ccc2F)ccn1.
What is the InChIKey of 4-(2,5-difluorophenoxy)pyridine-2-carbothioamide?
The InChIKey is DLIMXGYGVXHNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2OS/c13-7-1-2-9(14)11(5-7)17-8-3-4-16-10(6-8)12(15)18/h1-6H,(H2,15,18).
What are the key properties of 4-(2,5-difluorophenoxy)pyridine-2-carbothioamide?
4-(2,5-difluorophenoxy)pyridine-2-carbothioamide has a molecular weight of 266.27 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenoxy)pyridine-2-carbothioamide is sourced from PubChem (CID 55167363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).