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

C12H8Cl2N2OS — CID 115488843

IUPAC5-(2,4-dichlorophenoxy)pyridine-2-carbothioamide
SMILESNC(=S)c1ccc(Oc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C12H8Cl2N2OS/c13-7-1-4-11(9(14)5-7)17-8-2-3-10(12(15)18)16-6-8/h1-6H,(H2,15,18)
InChIKeyKOEPQQZAXZNNIK-UHFFFAOYSA-N
MW299.18 g/mol
LogP3.81
Rot. Bonds3

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

5-(2,4-dichlorophenoxy)pyridine-2-carbothioamide (PubChem CID 115488843) has the molecular formula C12H8Cl2N2OS and a molecular weight of 299.18 g/mol. Its IUPAC name is 5-(2,4-dichlorophenoxy)pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-(2,4-dichlorophenoxy)pyridine-2-carbothioamide
PubChem CID115488843
Molecular FormulaC12H8Cl2N2OS
Molecular Weight299.18 g/mol
Exact Mass297.97
IUPAC Name5-(2,4-dichlorophenoxy)pyridine-2-carbothioamide
SMILESNC(=S)c1ccc(Oc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C12H8Cl2N2OS/c13-7-1-4-11(9(14)5-7)17-8-2-3-10(12(15)18)16-6-8/h1-6H,(H2,15,18)
InChIKeyKOEPQQZAXZNNIK-UHFFFAOYSA-N
XLogP3.81
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 53.81
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

5-(4-chloro-2-methylphenoxy)pyridine-2-carbothioamide
CID 113321034
5-(2-chlorophenoxy)pyridine-2-carbothioamide
CID 113321027
5-(4-bromo-2-chlorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136990811
5-(2-bromo-4-fluorophenoxy)pyridine-2-carbothioamide
CID 113321022
5-[(4-chlorophenyl)methoxy]pyridine-2-carbothioamide
CID 115488934
5-(5-bromo-2,3-difluorophenoxy)pyridine-2-carbothioamide
CID 107098345
5-(2-ethoxyphenoxy)pyridine-2-carbothioamide
CID 115488829
[5-(4-bromo-2-chlorophenoxy)-2-pyridinyl]methanamine
CID 115487175
3-chloro-4-(3-chloro-4-fluorophenoxy)benzenecarbothioamide
CID 55256885
5-(3-methylphenoxy)pyridine-2-carbothioamide
CID 113321030
4-(2-bromo-4-chlorophenoxy)pyridine-2-carbothioamide
CID 62924720
5-[2-chloro-4-(1,3-dioxolan-2-yl)phenoxy]pyridine-2-carboxamide
CID 59730008

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenoxy)pyridine-2-carbothioamide?
The IUPAC name of 5-(2,4-dichlorophenoxy)pyridine-2-carbothioamide (CID 115488843) is 5-(2,4-dichlorophenoxy)pyridine-2-carbothioamide.
What is the SMILES notation for 5-(2,4-dichlorophenoxy)pyridine-2-carbothioamide?
The canonical SMILES for 5-(2,4-dichlorophenoxy)pyridine-2-carbothioamide is NC(=S)c1ccc(Oc2ccc(Cl)cc2Cl)cn1.
What is the InChIKey of 5-(2,4-dichlorophenoxy)pyridine-2-carbothioamide?
The InChIKey is KOEPQQZAXZNNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2OS/c13-7-1-4-11(9(14)5-7)17-8-2-3-10(12(15)18)16-6-8/h1-6H,(H2,15,18).
What are the key properties of 5-(2,4-dichlorophenoxy)pyridine-2-carbothioamide?
5-(2,4-dichlorophenoxy)pyridine-2-carbothioamide has a molecular weight of 299.18 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenoxy)pyridine-2-carbothioamide is sourced from PubChem (CID 115488843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).