5-(5-bromo-1,3-benzothiazol-2-yl)pyridin-3-ol

C12H7BrN2OS — CID 55257552

IUPAC5-(5-bromo-1,3-benzothiazol-2-yl)pyridin-3-ol
SMILESOc1cncc(-c2nc3cc(Br)ccc3s2)c1
InChIInChI=1S/C12H7BrN2OS/c13-8-1-2-11-10(4-8)15-12(17-11)7-3-9(16)6-14-5-7/h1-6,16H
InChIKeyIBFSAYYCKWPLBE-UHFFFAOYSA-N
MW307.17 g/mol
LogP3.83
Rot. Bonds1

About 5-(5-bromo-1,3-benzothiazol-2-yl)pyridin-3-ol

5-(5-bromo-1,3-benzothiazol-2-yl)pyridin-3-ol (PubChem CID 55257552) has the molecular formula C12H7BrN2OS and a molecular weight of 307.17 g/mol. Its IUPAC name is 5-(5-bromo-1,3-benzothiazol-2-yl)pyridin-3-ol.

Molecular Properties

Compound Name5-(5-bromo-1,3-benzothiazol-2-yl)pyridin-3-ol
PubChem CID55257552
Molecular FormulaC12H7BrN2OS
Molecular Weight307.17 g/mol
Exact Mass305.95
IUPAC Name5-(5-bromo-1,3-benzothiazol-2-yl)pyridin-3-ol
SMILESOc1cncc(-c2nc3cc(Br)ccc3s2)c1
InChIInChI=1S/C12H7BrN2OS/c13-8-1-2-11-10(4-8)15-12(17-11)7-3-9(16)6-14-5-7/h1-6,16H
InChIKeyIBFSAYYCKWPLBE-UHFFFAOYSA-N
XLogP3.83
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-1,3-benzothiazol-2-yl)pyridin-3-ol?
The IUPAC name of 5-(5-bromo-1,3-benzothiazol-2-yl)pyridin-3-ol (CID 55257552) is 5-(5-bromo-1,3-benzothiazol-2-yl)pyridin-3-ol.
What is the SMILES notation for 5-(5-bromo-1,3-benzothiazol-2-yl)pyridin-3-ol?
The canonical SMILES for 5-(5-bromo-1,3-benzothiazol-2-yl)pyridin-3-ol is Oc1cncc(-c2nc3cc(Br)ccc3s2)c1.
What is the InChIKey of 5-(5-bromo-1,3-benzothiazol-2-yl)pyridin-3-ol?
The InChIKey is IBFSAYYCKWPLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2OS/c13-8-1-2-11-10(4-8)15-12(17-11)7-3-9(16)6-14-5-7/h1-6,16H.
What are the key properties of 5-(5-bromo-1,3-benzothiazol-2-yl)pyridin-3-ol?
5-(5-bromo-1,3-benzothiazol-2-yl)pyridin-3-ol has a molecular weight of 307.17 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-1,3-benzothiazol-2-yl)pyridin-3-ol is sourced from PubChem (CID 55257552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).