6-(2-bromo-5-chloroanilino)pyridine-2-carbothioamide

C12H9BrClN3S — CID 81270758

IUPAC6-(2-bromo-5-chloroanilino)pyridine-2-carbothioamide
SMILESNC(=S)c1cccc(Nc2cc(Cl)ccc2Br)n1
InChIInChI=1S/C12H9BrClN3S/c13-8-5-4-7(14)6-10(8)17-11-3-1-2-9(16-11)12(15)18/h1-6H,(H2,15,18)(H,16,17)
InChIKeyADCOLUHGAUUMAI-UHFFFAOYSA-N
MW342.65 g/mol
LogP3.88
Rot. Bonds3

About 6-(2-bromo-5-chloroanilino)pyridine-2-carbothioamide

6-(2-bromo-5-chloroanilino)pyridine-2-carbothioamide (PubChem CID 81270758) has the molecular formula C12H9BrClN3S and a molecular weight of 342.65 g/mol. Its IUPAC name is 6-(2-bromo-5-chloroanilino)pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-(2-bromo-5-chloroanilino)pyridine-2-carbothioamide
PubChem CID81270758
Molecular FormulaC12H9BrClN3S
Molecular Weight342.65 g/mol
Exact Mass340.94
IUPAC Name6-(2-bromo-5-chloroanilino)pyridine-2-carbothioamide
SMILESNC(=S)c1cccc(Nc2cc(Cl)ccc2Br)n1
InChIInChI=1S/C12H9BrClN3S/c13-8-5-4-7(14)6-10(8)17-11-3-1-2-9(16-11)12(15)18/h1-6H,(H2,15,18)(H,16,17)
InChIKeyADCOLUHGAUUMAI-UHFFFAOYSA-N
XLogP3.88
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.65
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(4-bromo-2-methylanilino)pyridine-2-carbothioamide
CID 64588029
6-chloro-N-(2,5-dibromophenyl)pyridin-2-amine
CID 63588218
N-(2-bromo-5-chlorophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 81255728
N-(2-bromo-5-chlorophenyl)-5-carbamothioylpyridine-2-carboxamide
CID 81271163
6-(2-bromo-5-iodoanilino)pyridine-2-carboxylic acid
CID 114260436
6-[(3-chloro-4-fluorophenyl)methylamino]pyridine-2-carbothioamide
CID 64596457
N-(2-bromo-5-chlorophenyl)-4-carbamothioylbenzamide
CID 81270417
N-(2-bromo-4-chlorophenyl)-6-fluoropyridin-2-amine
CID 81281101
N-(2-bromo-5-chlorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 81272468
6-(4-sulfamoylanilino)pyridine-2-carbothioamide
CID 64588424
6-N-(2,5-dibromophenyl)pyridine-2,6-diamine
CID 80652280
6-(3-ethylanilino)pyridine-2-carbothioamide
CID 64588428

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-5-chloroanilino)pyridine-2-carbothioamide?
The IUPAC name of 6-(2-bromo-5-chloroanilino)pyridine-2-carbothioamide (CID 81270758) is 6-(2-bromo-5-chloroanilino)pyridine-2-carbothioamide.
What is the SMILES notation for 6-(2-bromo-5-chloroanilino)pyridine-2-carbothioamide?
The canonical SMILES for 6-(2-bromo-5-chloroanilino)pyridine-2-carbothioamide is NC(=S)c1cccc(Nc2cc(Cl)ccc2Br)n1.
What is the InChIKey of 6-(2-bromo-5-chloroanilino)pyridine-2-carbothioamide?
The InChIKey is ADCOLUHGAUUMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3S/c13-8-5-4-7(14)6-10(8)17-11-3-1-2-9(16-11)12(15)18/h1-6H,(H2,15,18)(H,16,17).
What are the key properties of 6-(2-bromo-5-chloroanilino)pyridine-2-carbothioamide?
6-(2-bromo-5-chloroanilino)pyridine-2-carbothioamide has a molecular weight of 342.65 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-5-chloroanilino)pyridine-2-carbothioamide is sourced from PubChem (CID 81270758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).