3-(4-bromo-2,5-dichlorophenoxy)pyridine-2-carbothioamide

C12H7BrCl2N2OS — CID 107658134

IUPAC3-(4-bromo-2,5-dichlorophenoxy)pyridine-2-carbothioamide
SMILESNC(=S)c1ncccc1Oc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C12H7BrCl2N2OS/c13-6-4-8(15)10(5-7(6)14)18-9-2-1-3-17-11(9)12(16)19/h1-5H,(H2,16,19)
InChIKeyFFPAKFOSJYIUNL-UHFFFAOYSA-N
MW378.08 g/mol
LogP4.58
Rot. Bonds3

About 3-(4-bromo-2,5-dichlorophenoxy)pyridine-2-carbothioamide

3-(4-bromo-2,5-dichlorophenoxy)pyridine-2-carbothioamide (PubChem CID 107658134) has the molecular formula C12H7BrCl2N2OS and a molecular weight of 378.08 g/mol. Its IUPAC name is 3-(4-bromo-2,5-dichlorophenoxy)pyridine-2-carbothioamide.

Molecular Properties

Compound Name3-(4-bromo-2,5-dichlorophenoxy)pyridine-2-carbothioamide
PubChem CID107658134
Molecular FormulaC12H7BrCl2N2OS
Molecular Weight378.08 g/mol
Exact Mass375.88
IUPAC Name3-(4-bromo-2,5-dichlorophenoxy)pyridine-2-carbothioamide
SMILESNC(=S)c1ncccc1Oc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C12H7BrCl2N2OS/c13-6-4-8(15)10(5-7(6)14)18-9-2-1-3-17-11(9)12(16)19/h1-5H,(H2,16,19)
InChIKeyFFPAKFOSJYIUNL-UHFFFAOYSA-N
XLogP4.58
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.08
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-(4-bromo-2,5-dichlorophenoxy)pyridine-2-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

4-bromo-2-(4-bromo-2,5-dichlorophenoxy)benzenecarbothioamide
CID 107658112
2-(4-bromo-2,5-dichlorophenoxy)-4-methylbenzenecarbothioamide
CID 107658141
6-(4-bromo-2,5-dichlorophenoxy)quinolin-5-amine
CID 107655292
4-(4-bromo-2,5-dichlorophenoxy)-3-fluorobenzenecarbothioamide
CID 107658125
3-(2-bromo-4-chloro-5-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136730869
3-(5-fluoro-2-methylphenoxy)pyridine-2-carbothioamide
CID 102981785
3-(2-chloro-5-fluorophenoxy)pyrazine-2-carbothioamide
CID 114264253
3-[(2-chloro-4-fluorophenoxy)methyl]pyridine-2-carbothioamide
CID 62894313
3-amino-2-(4-bromo-2,5-dichlorophenoxy)benzamide
CID 107659948
2-bromo-6-(4-bromo-2,5-dichlorophenoxy)benzoic acid
CID 107661502
2-(2-bromo-4-chlorophenoxy)benzenecarbothioamide
CID 28602334
2-(2-methoxyphenoxy)pyridine-3-carbothioamide
CID 24702703

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2,5-dichlorophenoxy)pyridine-2-carbothioamide?
The IUPAC name of 3-(4-bromo-2,5-dichlorophenoxy)pyridine-2-carbothioamide (CID 107658134) is 3-(4-bromo-2,5-dichlorophenoxy)pyridine-2-carbothioamide.
What is the SMILES notation for 3-(4-bromo-2,5-dichlorophenoxy)pyridine-2-carbothioamide?
The canonical SMILES for 3-(4-bromo-2,5-dichlorophenoxy)pyridine-2-carbothioamide is NC(=S)c1ncccc1Oc1cc(Cl)c(Br)cc1Cl.
What is the InChIKey of 3-(4-bromo-2,5-dichlorophenoxy)pyridine-2-carbothioamide?
The InChIKey is FFPAKFOSJYIUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2N2OS/c13-6-4-8(15)10(5-7(6)14)18-9-2-1-3-17-11(9)12(16)19/h1-5H,(H2,16,19).
What are the key properties of 3-(4-bromo-2,5-dichlorophenoxy)pyridine-2-carbothioamide?
3-(4-bromo-2,5-dichlorophenoxy)pyridine-2-carbothioamide has a molecular weight of 378.08 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2,5-dichlorophenoxy)pyridine-2-carbothioamide is sourced from PubChem (CID 107658134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).