(3S)-1-(3-bromo-2-chlorophenyl)-3-methoxypyrrolidine

C11H13BrClNO — CID 171782730

IUPAC(3S)-1-(3-bromo-2-chlorophenyl)-3-methoxypyrrolidine
SMILESCO[C@H]1CCN(c2cccc(Br)c2Cl)C1
InChIInChI=1S/C11H13BrClNO/c1-15-8-5-6-14(7-8)10-4-2-3-9(12)11(10)13/h2-4,8H,5-7H2,1H3/t8-/m0/s1
InChIKeyVERHVURYKLDPMA-QMMMGPOBSA-N
MW290.59 g/mol
LogP3.33
Rot. Bonds2

About (3S)-1-(3-bromo-2-chlorophenyl)-3-methoxypyrrolidine

(3S)-1-(3-bromo-2-chlorophenyl)-3-methoxypyrrolidine (PubChem CID 171782730) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is (3S)-1-(3-bromo-2-chlorophenyl)-3-methoxypyrrolidine.

Molecular Properties

Compound Name(3S)-1-(3-bromo-2-chlorophenyl)-3-methoxypyrrolidine
PubChem CID171782730
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC Name(3S)-1-(3-bromo-2-chlorophenyl)-3-methoxypyrrolidine
SMILESCO[C@H]1CCN(c2cccc(Br)c2Cl)C1
InChIInChI=1S/C11H13BrClNO/c1-15-8-5-6-14(7-8)10-4-2-3-9(12)11(10)13/h2-4,8H,5-7H2,1H3/t8-/m0/s1
InChIKeyVERHVURYKLDPMA-QMMMGPOBSA-N
XLogP3.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-1-(3-bromo-2-chlorophenyl)-3-methoxypyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-bromo-2-chlorophenyl)-3-methoxypyrrolidine?
The IUPAC name of (3S)-1-(3-bromo-2-chlorophenyl)-3-methoxypyrrolidine (CID 171782730) is (3S)-1-(3-bromo-2-chlorophenyl)-3-methoxypyrrolidine.
What is the SMILES notation for (3S)-1-(3-bromo-2-chlorophenyl)-3-methoxypyrrolidine?
The canonical SMILES for (3S)-1-(3-bromo-2-chlorophenyl)-3-methoxypyrrolidine is CO[C@H]1CCN(c2cccc(Br)c2Cl)C1.
What is the InChIKey of (3S)-1-(3-bromo-2-chlorophenyl)-3-methoxypyrrolidine?
The InChIKey is VERHVURYKLDPMA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13BrClNO/c1-15-8-5-6-14(7-8)10-4-2-3-9(12)11(10)13/h2-4,8H,5-7H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-1-(3-bromo-2-chlorophenyl)-3-methoxypyrrolidine?
(3S)-1-(3-bromo-2-chlorophenyl)-3-methoxypyrrolidine has a molecular weight of 290.59 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-bromo-2-chlorophenyl)-3-methoxypyrrolidine is sourced from PubChem (CID 171782730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).