6-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide

C12H6BrClN4OS — CID 66464939

IUPAC6-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
SMILESO=C(Nc1c(Cl)ccc2nsnc12)c1ccc(Br)nc1
InChIInChI=1S/C12H6BrClN4OS/c13-9-4-1-6(5-15-9)12(19)16-10-7(14)2-3-8-11(10)18-20-17-8/h1-5H,(H,16,19)
InChIKeyIBDKZBAWIVLAOD-UHFFFAOYSA-N
MW369.63 g/mol
LogP3.75
Rot. Bonds2

About 6-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide

6-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide (PubChem CID 66464939) has the molecular formula C12H6BrClN4OS and a molecular weight of 369.63 g/mol. Its IUPAC name is 6-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
PubChem CID66464939
Molecular FormulaC12H6BrClN4OS
Molecular Weight369.63 g/mol
Exact Mass367.91
IUPAC Name6-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
SMILESO=C(Nc1c(Cl)ccc2nsnc12)c1ccc(Br)nc1
InChIInChI=1S/C12H6BrClN4OS/c13-9-4-1-6(5-15-9)12(19)16-10-7(14)2-3-8-11(10)18-20-17-8/h1-5H,(H,16,19)
InChIKeyIBDKZBAWIVLAOD-UHFFFAOYSA-N
XLogP3.75
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.63
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide
CID 6471882
5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
CID 65473609
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,4-dihydroxybenzamide
CID 136904601
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoropyridine-3-carboxamide
CID 86782684
6-bromo-N-(2,6-dichloro-3-methylphenyl)pyridine-3-carboxamide
CID 66462872
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 2994664
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-propan-2-yloxybenzamide
CID 3163998
6-bromo-N-(2,4,6-trichlorophenyl)pyridine-3-carboxamide
CID 66462095
2,5-dichloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)benzamide
CID 17274617
5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide
CID 65475931
4-bromo-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzamide
CID 60955307
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoro-2-hydroxybenzamide
CID 115299138

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide (CID 66464939) is 6-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide is O=C(Nc1c(Cl)ccc2nsnc12)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide?
The InChIKey is IBDKZBAWIVLAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClN4OS/c13-9-4-1-6(5-15-9)12(19)16-10-7(14)2-3-8-11(10)18-20-17-8/h1-5H,(H,16,19).
What are the key properties of 6-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide?
6-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide has a molecular weight of 369.63 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 66464939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).