6-(2,2-difluoroethoxy)pyridine-3-carbothioamide

C8H8F2N2OS — CID 82004872

IUPAC6-(2,2-difluoroethoxy)pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(OCC(F)F)nc1
InChIInChI=1S/C8H8F2N2OS/c9-6(10)4-13-7-2-1-5(3-12-7)8(11)14/h1-3,6H,4H2,(H2,11,14)
InChIKeyXXMBYQLYONDJPZ-UHFFFAOYSA-N
MW218.23 g/mol
LogP1.36
Rot. Bonds4

About 6-(2,2-difluoroethoxy)pyridine-3-carbothioamide

6-(2,2-difluoroethoxy)pyridine-3-carbothioamide (PubChem CID 82004872) has the molecular formula C8H8F2N2OS and a molecular weight of 218.23 g/mol. Its IUPAC name is 6-(2,2-difluoroethoxy)pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-(2,2-difluoroethoxy)pyridine-3-carbothioamide
PubChem CID82004872
Molecular FormulaC8H8F2N2OS
Molecular Weight218.23 g/mol
Exact Mass218.03
IUPAC Name6-(2,2-difluoroethoxy)pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(OCC(F)F)nc1
InChIInChI=1S/C8H8F2N2OS/c9-6(10)4-13-7-2-1-5(3-12-7)8(11)14/h1-3,6H,4H2,(H2,11,14)
InChIKeyXXMBYQLYONDJPZ-UHFFFAOYSA-N
XLogP1.36
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(2,2-difluoroethoxy)pyridine-3-carbothioamide 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

6-(2,2-difluoroethoxy)-N'-hydroxypyridine-3-carboximidamide
CID 82003968
ethyl 6-(2,2-difluoroethoxy)pyridine-3-carboxylate
CID 103866910
6-[2-(2-methylpropoxy)ethoxy]pyridine-3-carbothioamide
CID 106447647
6-propan-2-yloxypyridine-3-carbothioamide
CID 24703491
2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbothioamide
CID 114768237
5-chloro-2-(2,2-difluoroethoxy)pyridine
CID 82005471
2-[6-(2,2-difluoroethoxy)-3-pyridinyl]ethanamine
CID 87770733
2-[6-(2,2-difluoroethoxy)-3-pyridinyl]acetaldehyde
CID 118255814
6-(2-butoxyethoxy)pyridine-3-carbothioamide
CID 29001986
6-(2-pyridin-2-ylethoxy)pyridine-3-carbothioamide
CID 43128879
6-(oxolan-2-ylmethoxy)pyridine-3-carbothioamide
CID 24702377
6-[4-(2-hydroxyethyl)phenoxy]pyridine-3-carbothioamide
CID 107708868

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethoxy)pyridine-3-carbothioamide?
The IUPAC name of 6-(2,2-difluoroethoxy)pyridine-3-carbothioamide (CID 82004872) is 6-(2,2-difluoroethoxy)pyridine-3-carbothioamide.
What is the SMILES notation for 6-(2,2-difluoroethoxy)pyridine-3-carbothioamide?
The canonical SMILES for 6-(2,2-difluoroethoxy)pyridine-3-carbothioamide is NC(=S)c1ccc(OCC(F)F)nc1.
What is the InChIKey of 6-(2,2-difluoroethoxy)pyridine-3-carbothioamide?
The InChIKey is XXMBYQLYONDJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2OS/c9-6(10)4-13-7-2-1-5(3-12-7)8(11)14/h1-3,6H,4H2,(H2,11,14).
What are the key properties of 6-(2,2-difluoroethoxy)pyridine-3-carbothioamide?
6-(2,2-difluoroethoxy)pyridine-3-carbothioamide has a molecular weight of 218.23 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethoxy)pyridine-3-carbothioamide is sourced from PubChem (CID 82004872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).