(3S)-1-[(5-bromo-2-chlorophenyl)methyl]pyrrolidin-3-ol

C11H13BrClNO — CID 103663267

IUPAC(3S)-1-[(5-bromo-2-chlorophenyl)methyl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(Cc2cc(Br)ccc2Cl)C1
InChIInChI=1S/C11H13BrClNO/c12-9-1-2-11(13)8(5-9)6-14-4-3-10(15)7-14/h1-2,5,10,15H,3-4,6-7H2/t10-/m0/s1
InChIKeyHKRALAJNVAQTMA-JTQLQIEISA-N
MW290.59 g/mol
LogP2.67
Rot. Bonds2

About (3S)-1-[(5-bromo-2-chlorophenyl)methyl]pyrrolidin-3-ol

(3S)-1-[(5-bromo-2-chlorophenyl)methyl]pyrrolidin-3-ol (PubChem CID 103663267) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is (3S)-1-[(5-bromo-2-chlorophenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(5-bromo-2-chlorophenyl)methyl]pyrrolidin-3-ol
PubChem CID103663267
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC Name(3S)-1-[(5-bromo-2-chlorophenyl)methyl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(Cc2cc(Br)ccc2Cl)C1
InChIInChI=1S/C11H13BrClNO/c12-9-1-2-11(13)8(5-9)6-14-4-3-10(15)7-14/h1-2,5,10,15H,3-4,6-7H2/t10-/m0/s1
InChIKeyHKRALAJNVAQTMA-JTQLQIEISA-N
XLogP2.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-ol
CID 78963344
1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-amine
CID 103815288
(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
CID 59424626
(3S)-1-[(3-bromo-4-chlorophenyl)methyl]pyrrolidin-3-ol
CID 103917989
1-[(5-bromo-2-chlorophenyl)methyl]azetidine
CID 126992141
(3R)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]pyrrolidin-3-ol
CID 103917970
1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 103815438
1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922600
1-[(4-amino-2-bromophenyl)methyl]pyrrolidin-3-ol
CID 62941685
(3S)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-3-ol
CID 103882994
1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpyrrolidine
CID 115602343
1-[(2-amino-4-chlorophenyl)methyl]pyrrolidin-3-ol
CID 62941868

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(5-bromo-2-chlorophenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[(5-bromo-2-chlorophenyl)methyl]pyrrolidin-3-ol (CID 103663267) is (3S)-1-[(5-bromo-2-chlorophenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[(5-bromo-2-chlorophenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[(5-bromo-2-chlorophenyl)methyl]pyrrolidin-3-ol is O[C@H]1CCN(Cc2cc(Br)ccc2Cl)C1.
What is the InChIKey of (3S)-1-[(5-bromo-2-chlorophenyl)methyl]pyrrolidin-3-ol?
The InChIKey is HKRALAJNVAQTMA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13BrClNO/c12-9-1-2-11(13)8(5-9)6-14-4-3-10(15)7-14/h1-2,5,10,15H,3-4,6-7H2/t10-/m0/s1.
What are the key properties of (3S)-1-[(5-bromo-2-chlorophenyl)methyl]pyrrolidin-3-ol?
(3S)-1-[(5-bromo-2-chlorophenyl)methyl]pyrrolidin-3-ol has a molecular weight of 290.59 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(5-bromo-2-chlorophenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 103663267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).