7-bromo-5-chloro-[1,3]thiazolo[5,4-b]pyridine

C6H2BrClN2S — CID 168966810

IUPAC7-bromo-5-chloro-[1,3]thiazolo[5,4-b]pyridine
SMILESClc1cc(Br)c2ncsc2n1
InChIInChI=1S/C6H2BrClN2S/c7-3-1-4(8)10-6-5(3)9-2-11-6/h1-2H
InChIKeyMHHYGKGFIWSMFV-UHFFFAOYSA-N
MW249.52 g/mol
LogP3.11
Rot. Bonds

About 7-bromo-5-chloro-[1,3]thiazolo[5,4-b]pyridine

7-bromo-5-chloro-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 168966810) has the molecular formula C6H2BrClN2S and a molecular weight of 249.52 g/mol. Its IUPAC name is 7-bromo-5-chloro-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name7-bromo-5-chloro-[1,3]thiazolo[5,4-b]pyridine
PubChem CID168966810
Molecular FormulaC6H2BrClN2S
Molecular Weight249.52 g/mol
Exact Mass247.88
IUPAC Name7-bromo-5-chloro-[1,3]thiazolo[5,4-b]pyridine
SMILESClc1cc(Br)c2ncsc2n1
InChIInChI=1S/C6H2BrClN2S/c7-3-1-4(8)10-6-5(3)9-2-11-6/h1-2H
InChIKeyMHHYGKGFIWSMFV-UHFFFAOYSA-N
XLogP3.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.52
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-chloro-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 7-bromo-5-chloro-[1,3]thiazolo[5,4-b]pyridine (CID 168966810) is 7-bromo-5-chloro-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 7-bromo-5-chloro-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 7-bromo-5-chloro-[1,3]thiazolo[5,4-b]pyridine is Clc1cc(Br)c2ncsc2n1.
What is the InChIKey of 7-bromo-5-chloro-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is MHHYGKGFIWSMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClN2S/c7-3-1-4(8)10-6-5(3)9-2-11-6/h1-2H.
What are the key properties of 7-bromo-5-chloro-[1,3]thiazolo[5,4-b]pyridine?
7-bromo-5-chloro-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 249.52 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-chloro-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 168966810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).