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

C12H6BrClN4OS — CID 65473609

IUPAC5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
SMILESO=C(Nc1c(Cl)ccc2nsnc12)c1cncc(Br)c1
InChIInChI=1S/C12H6BrClN4OS/c13-7-3-6(4-15-5-7)12(19)16-10-8(14)1-2-9-11(10)18-20-17-9/h1-5H,(H,16,19)
InChIKeyNCICQIVKCLCARD-UHFFFAOYSA-N
MW369.63 g/mol
LogP3.75
Rot. Bonds2

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

5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide (PubChem CID 65473609) has the molecular formula C12H6BrClN4OS and a molecular weight of 369.63 g/mol. Its IUPAC name is 5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
PubChem CID65473609
Molecular FormulaC12H6BrClN4OS
Molecular Weight369.63 g/mol
Exact Mass367.91
IUPAC Name5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
SMILESO=C(Nc1c(Cl)ccc2nsnc12)c1cncc(Br)c1
InChIInChI=1S/C12H6BrClN4OS/c13-7-3-6(4-15-5-7)12(19)16-10-8(14)1-2-9-11(10)18-20-17-9/h1-5H,(H,16,19)
InChIKeyNCICQIVKCLCARD-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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide (CID 65473609) is 5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide is O=C(Nc1c(Cl)ccc2nsnc12)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide?
The InChIKey is NCICQIVKCLCARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClN4OS/c13-7-3-6(4-15-5-7)12(19)16-10-8(14)1-2-9-11(10)18-20-17-9/h1-5H,(H,16,19).
What are the key properties of 5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide?
5-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 5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 65473609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).