2-(1-benzothiophen-3-yl)-3-bromopyridine

C13H8BrNS — CID 166444272

IUPAC2-(1-benzothiophen-3-yl)-3-bromopyridine
SMILESBrc1cccnc1-c1csc2ccccc12
InChIInChI=1S/C13H8BrNS/c14-11-5-3-7-15-13(11)10-8-16-12-6-2-1-4-9(10)12/h1-8H
InChIKeyCMGBXAMNWISDJU-UHFFFAOYSA-N
MW290.19 g/mol
LogP4.73
Rot. Bonds1

About 2-(1-benzothiophen-3-yl)-3-bromopyridine

2-(1-benzothiophen-3-yl)-3-bromopyridine (PubChem CID 166444272) has the molecular formula C13H8BrNS and a molecular weight of 290.19 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-3-bromopyridine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-3-bromopyridine
PubChem CID166444272
Molecular FormulaC13H8BrNS
Molecular Weight290.19 g/mol
Exact Mass288.96
IUPAC Name2-(1-benzothiophen-3-yl)-3-bromopyridine
SMILESBrc1cccnc1-c1csc2ccccc12
InChIInChI=1S/C13H8BrNS/c14-11-5-3-7-15-13(11)10-8-16-12-6-2-1-4-9(10)12/h1-8H
InChIKeyCMGBXAMNWISDJU-UHFFFAOYSA-N
XLogP4.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(-)-(R)-2-(1-(2-(2-(azetidin-1-yl)ethyl)benzo[b]thiophen-3-yl)ethyl)pyridine
CID 46884063
(-)-(R)-2-(3-(1-(5-fluoropyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
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CID 11500781
(-)-(R)-2-(1-(2-(2-(pyrrolidin-1-yl)ethyl)benzo[b]thiophen-3-yl)ethyl)pyridine
CID 11508317
(+)-(S)-N,N-dimethyl-2-(3-(1-(pyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11515125
(+)-(S)-N,N-dimethyl-2-(3-(1-(pyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11551351
Benzo[B]thiophene-2-ethanamine, N,N-dimethyl-3-[1-(2-pyridinyl)ethyl]-
CID 11580426
Benzo(b)thiophene-2-ethanamine, N,N-dimethyl-3-((1R)-1-(2-pyridinyl)ethyl)-
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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-3-bromopyridine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-3-bromopyridine (CID 166444272) is 2-(1-benzothiophen-3-yl)-3-bromopyridine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-3-bromopyridine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-3-bromopyridine is Brc1cccnc1-c1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-3-bromopyridine?
The InChIKey is CMGBXAMNWISDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrNS/c14-11-5-3-7-15-13(11)10-8-16-12-6-2-1-4-9(10)12/h1-8H.
What are the key properties of 2-(1-benzothiophen-3-yl)-3-bromopyridine?
2-(1-benzothiophen-3-yl)-3-bromopyridine has a molecular weight of 290.19 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-3-bromopyridine is sourced from PubChem (CID 166444272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).