(2S)-2-(3-bromophenyl)pyrrolidine;hydrochloride

C10H13BrClN — CID 91844794

IUPAC(2S)-2-(3-bromophenyl)pyrrolidine;hydrochloride
SMILESBrc1cccc([C@@H]2CCCN2)c1.Cl
InChIInChI=1S/C10H12BrN.ClH/c11-9-4-1-3-8(7-9)10-5-2-6-12-10;/h1,3-4,7,10,12H,2,5-6H2;1H/t10-;/m0./s1
InChIKeyCVYQYZJNUFUMJY-PPHPATTJSA-N
MW262.58 g/mol
LogP3.30
Rot. Bonds1

About (2S)-2-(3-bromophenyl)pyrrolidine;hydrochloride

(2S)-2-(3-bromophenyl)pyrrolidine;hydrochloride (PubChem CID 91844794) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is (2S)-2-(3-bromophenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(3-bromophenyl)pyrrolidine;hydrochloride
PubChem CID91844794
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name(2S)-2-(3-bromophenyl)pyrrolidine;hydrochloride
SMILESBrc1cccc([C@@H]2CCCN2)c1.Cl
InChIInChI=1S/C10H12BrN.ClH/c11-9-4-1-3-8(7-9)10-5-2-6-12-10;/h1,3-4,7,10,12H,2,5-6H2;1H/t10-;/m0./s1
InChIKeyCVYQYZJNUFUMJY-PPHPATTJSA-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 (2S)-2-(3-bromophenyl)pyrrolidine;hydrochloride?
The IUPAC name of (2S)-2-(3-bromophenyl)pyrrolidine;hydrochloride (CID 91844794) is (2S)-2-(3-bromophenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for (2S)-2-(3-bromophenyl)pyrrolidine;hydrochloride?
The canonical SMILES for (2S)-2-(3-bromophenyl)pyrrolidine;hydrochloride is Brc1cccc([C@@H]2CCCN2)c1.Cl.
What is the InChIKey of (2S)-2-(3-bromophenyl)pyrrolidine;hydrochloride?
The InChIKey is CVYQYZJNUFUMJY-PPHPATTJSA-N. The full InChI is InChI=1S/C10H12BrN.ClH/c11-9-4-1-3-8(7-9)10-5-2-6-12-10;/h1,3-4,7,10,12H,2,5-6H2;1H/t10-;/m0./s1.
What are the key properties of (2S)-2-(3-bromophenyl)pyrrolidine;hydrochloride?
(2S)-2-(3-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 (2S)-2-(3-bromophenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 91844794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).