5-(2-bromo-6-chloro-4-fluoroanilino)pyridine-2-carbothioamide

C12H8BrClFN3S — CID 107612263

IUPAC5-(2-bromo-6-chloro-4-fluoroanilino)pyridine-2-carbothioamide
SMILESNC(=S)c1ccc(Nc2c(Cl)cc(F)cc2Br)cn1
InChIInChI=1S/C12H8BrClFN3S/c13-8-3-6(15)4-9(14)11(8)18-7-1-2-10(12(16)19)17-5-7/h1-5,18H,(H2,16,19)
InChIKeyYSPGMFROBKUMAP-UHFFFAOYSA-N
MW360.64 g/mol
LogP4.01
Rot. Bonds3

About 5-(2-bromo-6-chloro-4-fluoroanilino)pyridine-2-carbothioamide

5-(2-bromo-6-chloro-4-fluoroanilino)pyridine-2-carbothioamide (PubChem CID 107612263) has the molecular formula C12H8BrClFN3S and a molecular weight of 360.64 g/mol. Its IUPAC name is 5-(2-bromo-6-chloro-4-fluoroanilino)pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-(2-bromo-6-chloro-4-fluoroanilino)pyridine-2-carbothioamide
PubChem CID107612263
Molecular FormulaC12H8BrClFN3S
Molecular Weight360.64 g/mol
Exact Mass358.93
IUPAC Name5-(2-bromo-6-chloro-4-fluoroanilino)pyridine-2-carbothioamide
SMILESNC(=S)c1ccc(Nc2c(Cl)cc(F)cc2Br)cn1
InChIInChI=1S/C12H8BrClFN3S/c13-8-3-6(15)4-9(14)11(8)18-7-1-2-10(12(16)19)17-5-7/h1-5,18H,(H2,16,19)
InChIKeyYSPGMFROBKUMAP-UHFFFAOYSA-N
XLogP4.01
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.64
LogP ≤ 54.01
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

3-(2-bromo-6-chloro-4-fluoroanilino)pyridazine-4-carbothioamide
CID 107612288
5-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 107470670
5-(2,6-difluoro-3-methylanilino)pyridine-2-carbothioamide
CID 82818596
5-(4-fluoro-2-methylanilino)pyridine-2-carbothioamide
CID 115488157
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylpyridin-4-amine
CID 107617932
2-(2-bromo-6-chloro-4-fluoroanilino)-6-methylpyridine-3-carbothioamide
CID 107612281
5-(4-fluoro-3-methylanilino)pyridine-2-carbothioamide
CID 113320917
N-(2,6-dichloro-4-fluorophenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104643020
3-(2-bromo-6-chloro-4-fluoroanilino)-5,6-dimethylpyridazine-4-carbothioamide
CID 107612259
2-(2-bromo-6-chloro-4-fluoroanilino)-6-methylpyridine-4-carbothioamide
CID 107612296
1-[2-amino-5-(2-bromo-6-chloro-4-fluoroanilino)phenyl]ethanone
CID 107609156
5-(2-bromo-4-fluorophenoxy)pyridine-2-carbothioamide
CID 113321022

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-6-chloro-4-fluoroanilino)pyridine-2-carbothioamide?
The IUPAC name of 5-(2-bromo-6-chloro-4-fluoroanilino)pyridine-2-carbothioamide (CID 107612263) is 5-(2-bromo-6-chloro-4-fluoroanilino)pyridine-2-carbothioamide.
What is the SMILES notation for 5-(2-bromo-6-chloro-4-fluoroanilino)pyridine-2-carbothioamide?
The canonical SMILES for 5-(2-bromo-6-chloro-4-fluoroanilino)pyridine-2-carbothioamide is NC(=S)c1ccc(Nc2c(Cl)cc(F)cc2Br)cn1.
What is the InChIKey of 5-(2-bromo-6-chloro-4-fluoroanilino)pyridine-2-carbothioamide?
The InChIKey is YSPGMFROBKUMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFN3S/c13-8-3-6(15)4-9(14)11(8)18-7-1-2-10(12(16)19)17-5-7/h1-5,18H,(H2,16,19).
What are the key properties of 5-(2-bromo-6-chloro-4-fluoroanilino)pyridine-2-carbothioamide?
5-(2-bromo-6-chloro-4-fluoroanilino)pyridine-2-carbothioamide has a molecular weight of 360.64 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-6-chloro-4-fluoroanilino)pyridine-2-carbothioamide is sourced from PubChem (CID 107612263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).