3,5-dichloro-6-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-2,6-diamine

C11H6Cl3N5S — CID 102758727

IUPAC3,5-dichloro-6-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-2,6-diamine
SMILESNc1nc(Nc2c(Cl)ccc3nsnc23)c(Cl)cc1Cl
InChIInChI=1S/C11H6Cl3N5S/c12-4-1-2-7-9(19-20-18-7)8(4)16-11-6(14)3-5(13)10(15)17-11/h1-3H,(H3,15,16,17)
InChIKeyRHOWITKHUZWOPL-UHFFFAOYSA-N
MW346.63 g/mol
LogP4.37
Rot. Bonds2

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

3,5-dichloro-6-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-2,6-diamine (PubChem CID 102758727) has the molecular formula C11H6Cl3N5S and a molecular weight of 346.63 g/mol. Its IUPAC name is 3,5-dichloro-6-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-2,6-diamine
PubChem CID102758727
Molecular FormulaC11H6Cl3N5S
Molecular Weight346.63 g/mol
Exact Mass344.94
IUPAC Name3,5-dichloro-6-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-2,6-diamine
SMILESNc1nc(Nc2c(Cl)ccc3nsnc23)c(Cl)cc1Cl
InChIInChI=1S/C11H6Cl3N5S/c12-4-1-2-7-9(19-20-18-7)8(4)16-11-6(14)3-5(13)10(15)17-11/h1-3H,(H3,15,16,17)
InChIKeyRHOWITKHUZWOPL-UHFFFAOYSA-N
XLogP4.37
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.63
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-2,6-diamine (CID 102758727) is 3,5-dichloro-6-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-2,6-diamine is Nc1nc(Nc2c(Cl)ccc3nsnc23)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-2,6-diamine?
The InChIKey is RHOWITKHUZWOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3N5S/c12-4-1-2-7-9(19-20-18-7)8(4)16-11-6(14)3-5(13)10(15)17-11/h1-3H,(H3,15,16,17).
What are the key properties of 3,5-dichloro-6-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-2,6-diamine?
3,5-dichloro-6-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-2,6-diamine has a molecular weight of 346.63 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-2,6-diamine is sourced from PubChem (CID 102758727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).