3-(5-bromo-4-chlorothiophen-2-yl)pyridine

C9H5BrClNS — CID 68843597

IUPAC3-(5-bromo-4-chlorothiophen-2-yl)pyridine
SMILESClc1cc(-c2cccnc2)sc1Br
InChIInChI=1S/C9H5BrClNS/c10-9-7(11)4-8(13-9)6-2-1-3-12-5-6/h1-5H
InChIKeyFTZCMIBSAXPALY-UHFFFAOYSA-N
MW274.57 g/mol
LogP4.23
Rot. Bonds1

About 3-(5-bromo-4-chlorothiophen-2-yl)pyridine

3-(5-bromo-4-chlorothiophen-2-yl)pyridine (PubChem CID 68843597) has the molecular formula C9H5BrClNS and a molecular weight of 274.57 g/mol. Its IUPAC name is 3-(5-bromo-4-chlorothiophen-2-yl)pyridine.

Molecular Properties

Compound Name3-(5-bromo-4-chlorothiophen-2-yl)pyridine
PubChem CID68843597
Molecular FormulaC9H5BrClNS
Molecular Weight274.57 g/mol
Exact Mass272.90
IUPAC Name3-(5-bromo-4-chlorothiophen-2-yl)pyridine
SMILESClc1cc(-c2cccnc2)sc1Br
InChIInChI=1S/C9H5BrClNS/c10-9-7(11)4-8(13-9)6-2-1-3-12-5-6/h1-5H
InChIKeyFTZCMIBSAXPALY-UHFFFAOYSA-N
XLogP4.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.57
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromothiophen-2-yl)pyridine
CID 22180781
3-[5-[5-[5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyridine
CID 102393188
5-pyridin-3-ylthiophene-2-thiol
CID 164530684
5-chloro-2-pyridin-3-yl-1,3-thiazole
CID 117259093
5-(4-bromo-3-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
CID 81296185
5-bromo-4-pyridin-3-yl-1,3-thiazole
CID 66520118
cyclopenta[c]azepine
CID 638010
3-(5-methyl-1-benzothiophen-2-yl)pyridine
CID 122397868
4-chloro-3-pyridin-3-ylpyridin-2-amine
CID 119054057
5-pyridin-3-yl-1,2-thiazole
CID 140618141
3-(2,6-dibromophenyl)pyridine
CID 76539776
3-(4-bromo-3,5-difluorophenyl)pyridine
CID 164533968

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-4-chlorothiophen-2-yl)pyridine?
The IUPAC name of 3-(5-bromo-4-chlorothiophen-2-yl)pyridine (CID 68843597) is 3-(5-bromo-4-chlorothiophen-2-yl)pyridine.
What is the SMILES notation for 3-(5-bromo-4-chlorothiophen-2-yl)pyridine?
The canonical SMILES for 3-(5-bromo-4-chlorothiophen-2-yl)pyridine is Clc1cc(-c2cccnc2)sc1Br.
What is the InChIKey of 3-(5-bromo-4-chlorothiophen-2-yl)pyridine?
The InChIKey is FTZCMIBSAXPALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClNS/c10-9-7(11)4-8(13-9)6-2-1-3-12-5-6/h1-5H.
What are the key properties of 3-(5-bromo-4-chlorothiophen-2-yl)pyridine?
3-(5-bromo-4-chlorothiophen-2-yl)pyridine has a molecular weight of 274.57 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-4-chlorothiophen-2-yl)pyridine is sourced from PubChem (CID 68843597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).