2-(4-bromophenyl)pyrrolidine;hydrochloride

C10H13BrClN — CID 53407515

IUPAC2-(4-bromophenyl)pyrrolidine;hydrochloride
SMILESBrc1ccc(C2CCCN2)cc1.Cl
InChIInChI=1S/C10H12BrN.ClH/c11-9-5-3-8(4-6-9)10-2-1-7-12-10;/h3-6,10,12H,1-2,7H2;1H
InChIKeyMFKFCHQDGBJUIU-UHFFFAOYSA-N
MW262.58 g/mol
LogP3.30
Rot. Bonds1

About 2-(4-bromophenyl)pyrrolidine;hydrochloride

2-(4-bromophenyl)pyrrolidine;hydrochloride (PubChem CID 53407515) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is 2-(4-bromophenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-(4-bromophenyl)pyrrolidine;hydrochloride
PubChem CID53407515
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name2-(4-bromophenyl)pyrrolidine;hydrochloride
SMILESBrc1ccc(C2CCCN2)cc1.Cl
InChIInChI=1S/C10H12BrN.ClH/c11-9-5-3-8(4-6-9)10-2-1-7-12-10;/h3-6,10,12H,1-2,7H2;1H
InChIKeyMFKFCHQDGBJUIU-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)pyrrolidine;hydrochloride?
The IUPAC name of 2-(4-bromophenyl)pyrrolidine;hydrochloride (CID 53407515) is 2-(4-bromophenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 2-(4-bromophenyl)pyrrolidine;hydrochloride?
The canonical SMILES for 2-(4-bromophenyl)pyrrolidine;hydrochloride is Brc1ccc(C2CCCN2)cc1.Cl.
What is the InChIKey of 2-(4-bromophenyl)pyrrolidine;hydrochloride?
The InChIKey is MFKFCHQDGBJUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN.ClH/c11-9-5-3-8(4-6-9)10-2-1-7-12-10;/h3-6,10,12H,1-2,7H2;1H.
What are the key properties of 2-(4-bromophenyl)pyrrolidine;hydrochloride?
2-(4-bromophenyl)pyrrolidine;hydrochloride has a molecular weight of 262.58 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 53407515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).