3-(2-bromophenyl)pyrrolidine;hydrochloride

C10H13BrClN — CID 91654979

IUPAC3-(2-bromophenyl)pyrrolidine;hydrochloride
SMILESBrc1ccccc1C1CCNC1.Cl
InChIInChI=1S/C10H12BrN.ClH/c11-10-4-2-1-3-9(10)8-5-6-12-7-8;/h1-4,8,12H,5-7H2;1H
InChIKeyIIHNHWCISBDITL-UHFFFAOYSA-N
MW262.58 g/mol
LogP2.95
Rot. Bonds1

About 3-(2-bromophenyl)pyrrolidine;hydrochloride

3-(2-bromophenyl)pyrrolidine;hydrochloride (PubChem CID 91654979) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is 3-(2-bromophenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(2-bromophenyl)pyrrolidine;hydrochloride
PubChem CID91654979
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name3-(2-bromophenyl)pyrrolidine;hydrochloride
SMILESBrc1ccccc1C1CCNC1.Cl
InChIInChI=1S/C10H12BrN.ClH/c11-10-4-2-1-3-9(10)8-5-6-12-7-8;/h1-4,8,12H,5-7H2;1H
InChIKeyIIHNHWCISBDITL-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.58
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)pyrrolidine;hydrochloride?
The IUPAC name of 3-(2-bromophenyl)pyrrolidine;hydrochloride (CID 91654979) is 3-(2-bromophenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(2-bromophenyl)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(2-bromophenyl)pyrrolidine;hydrochloride is Brc1ccccc1C1CCNC1.Cl.
What is the InChIKey of 3-(2-bromophenyl)pyrrolidine;hydrochloride?
The InChIKey is IIHNHWCISBDITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN.ClH/c11-10-4-2-1-3-9(10)8-5-6-12-7-8;/h1-4,8,12H,5-7H2;1H.
What are the key properties of 3-(2-bromophenyl)pyrrolidine;hydrochloride?
3-(2-bromophenyl)pyrrolidine;hydrochloride has a molecular weight of 262.58 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 91654979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).