3-(5-bromothiophen-2-yl)pyrrolidine;hydrochloride

C8H11BrClNS — CID 170910949

IUPAC3-(5-bromothiophen-2-yl)pyrrolidine;hydrochloride
SMILESBrc1ccc(C2CCNC2)s1.Cl
InChIInChI=1S/C8H10BrNS.ClH/c9-8-2-1-7(11-8)6-3-4-10-5-6;/h1-2,6,10H,3-5H2;1H
InChIKeyPSKLMNXORFNXAG-UHFFFAOYSA-N
MW268.61 g/mol
LogP3.01
Rot. Bonds1

About 3-(5-bromothiophen-2-yl)pyrrolidine;hydrochloride

3-(5-bromothiophen-2-yl)pyrrolidine;hydrochloride (PubChem CID 170910949) has the molecular formula C8H11BrClNS and a molecular weight of 268.61 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)pyrrolidine;hydrochloride
PubChem CID170910949
Molecular FormulaC8H11BrClNS
Molecular Weight268.61 g/mol
Exact Mass266.95
IUPAC Name3-(5-bromothiophen-2-yl)pyrrolidine;hydrochloride
SMILESBrc1ccc(C2CCNC2)s1.Cl
InChIInChI=1S/C8H10BrNS.ClH/c9-8-2-1-7(11-8)6-3-4-10-5-6;/h1-2,6,10H,3-5H2;1H
InChIKeyPSKLMNXORFNXAG-UHFFFAOYSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.61
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)pyrrolidine;hydrochloride?
The IUPAC name of 3-(5-bromothiophen-2-yl)pyrrolidine;hydrochloride (CID 170910949) is 3-(5-bromothiophen-2-yl)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(5-bromothiophen-2-yl)pyrrolidine;hydrochloride is Brc1ccc(C2CCNC2)s1.Cl.
What is the InChIKey of 3-(5-bromothiophen-2-yl)pyrrolidine;hydrochloride?
The InChIKey is PSKLMNXORFNXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNS.ClH/c9-8-2-1-7(11-8)6-3-4-10-5-6;/h1-2,6,10H,3-5H2;1H.
What are the key properties of 3-(5-bromothiophen-2-yl)pyrrolidine;hydrochloride?
3-(5-bromothiophen-2-yl)pyrrolidine;hydrochloride has a molecular weight of 268.61 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)pyrrolidine;hydrochloride is sourced from PubChem (CID 170910949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).