3-bromo-[1]benzothiolo[2,3-b]pyridine

C11H6BrNS — CID 118050468

IUPAC3-bromo-[1]benzothiolo[2,3-b]pyridine
SMILESBrc1cnc2sc3ccccc3c2c1
InChIInChI=1S/C11H6BrNS/c12-7-5-9-8-3-1-2-4-10(8)14-11(9)13-6-7/h1-6H
InChIKeyLOZHZCVQMNHARP-UHFFFAOYSA-N
MW264.15 g/mol
LogP4.21
Rot. Bonds

About 3-bromo-[1]benzothiolo[2,3-b]pyridine

3-bromo-[1]benzothiolo[2,3-b]pyridine (PubChem CID 118050468) has the molecular formula C11H6BrNS and a molecular weight of 264.15 g/mol. Its IUPAC name is 3-bromo-[1]benzothiolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-bromo-[1]benzothiolo[2,3-b]pyridine
PubChem CID118050468
Molecular FormulaC11H6BrNS
Molecular Weight264.15 g/mol
Exact Mass262.94
IUPAC Name3-bromo-[1]benzothiolo[2,3-b]pyridine
SMILESBrc1cnc2sc3ccccc3c2c1
InChIInChI=1S/C11H6BrNS/c12-7-5-9-8-3-1-2-4-10(8)14-11(9)13-6-7/h1-6H
InChIKeyLOZHZCVQMNHARP-UHFFFAOYSA-N
XLogP4.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137635095
2-[(4-bromo-3-pyridinyl)methyl]-6-fluoro-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137651194
3-Bromothieno[2,3-b]pyridine
CID 289926
3-Bromo-5-thiophen-3-yl-pyridine
CID 11276492
3-Bromo-5-(3-methylthiophen-2-yl)pyridine
CID 11311338
5-Bromothieno(2,3-b)pyridine
CID 12885487
4-(2-Benzo(B)thiophen-2-YL-vinyl)-pyridine
CID 6287472
2-Bromothieno(2,3-b)pyridine
CID 58412406
3-Bromo-2-methylthieno(2,3-b)pyridine
CID 68857726
7-Bromothieno(3,2-c)pyridine
CID 83680878
4-Bromothieno[2,3-b]pyridine
CID 84070520
2-Bromo-5-(2-thiophen-3-yl-1-benzothiophen-3-yl)pyridine
CID 44142406

Frequently Asked Questions

What is the IUPAC name of 3-bromo-[1]benzothiolo[2,3-b]pyridine?
The IUPAC name of 3-bromo-[1]benzothiolo[2,3-b]pyridine (CID 118050468) is 3-bromo-[1]benzothiolo[2,3-b]pyridine.
What is the SMILES notation for 3-bromo-[1]benzothiolo[2,3-b]pyridine?
The canonical SMILES for 3-bromo-[1]benzothiolo[2,3-b]pyridine is Brc1cnc2sc3ccccc3c2c1.
What is the InChIKey of 3-bromo-[1]benzothiolo[2,3-b]pyridine?
The InChIKey is LOZHZCVQMNHARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrNS/c12-7-5-9-8-3-1-2-4-10(8)14-11(9)13-6-7/h1-6H.
What are the key properties of 3-bromo-[1]benzothiolo[2,3-b]pyridine?
3-bromo-[1]benzothiolo[2,3-b]pyridine has a molecular weight of 264.15 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-[1]benzothiolo[2,3-b]pyridine is sourced from PubChem (CID 118050468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).