[(2S,3S)-3-(2-bromophenyl)pyrrolidin-2-yl]methanol

C11H14BrNO — CID 131001241

IUPAC[(2S,3S)-3-(2-bromophenyl)pyrrolidin-2-yl]methanol
SMILESOC[C@H]1NCC[C@H]1c1ccccc1Br
InChIInChI=1S/C11H14BrNO/c12-10-4-2-1-3-8(10)9-5-6-13-11(9)7-14/h1-4,9,11,13-14H,5-7H2/t9-,11+/m0/s1
InChIKeyFDOPQKYELNCIIJ-GXSJLCMTSA-N
MW256.14 g/mol
LogP1.89
Rot. Bonds2

About [(2S,3S)-3-(2-bromophenyl)pyrrolidin-2-yl]methanol

[(2S,3S)-3-(2-bromophenyl)pyrrolidin-2-yl]methanol (PubChem CID 131001241) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is [(2S,3S)-3-(2-bromophenyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-3-(2-bromophenyl)pyrrolidin-2-yl]methanol
PubChem CID131001241
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name[(2S,3S)-3-(2-bromophenyl)pyrrolidin-2-yl]methanol
SMILESOC[C@H]1NCC[C@H]1c1ccccc1Br
InChIInChI=1S/C11H14BrNO/c12-10-4-2-1-3-8(10)9-5-6-13-11(9)7-14/h1-4,9,11,13-14H,5-7H2/t9-,11+/m0/s1
InChIKeyFDOPQKYELNCIIJ-GXSJLCMTSA-N
XLogP1.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,3S)-3-(2-methylphenyl)pyrrolidin-2-yl]methanol
CID 130672690
[(2R,3S)-3-phenylpyrrolidin-2-yl]methanol
CID 98008478
(2R,3S)-3-(2-bromophenyl)pyrrolidine-2-carboxylic acid
CID 131873357
[(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 131114074
[3-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 130566235
(3-pyridin-3-ylpyrrolidin-2-yl)methanol
CID 126982382
[(2S,3S)-3-benzylpyrrolidin-2-yl]methanol
CID 130754239
2-(2-bromophenyl)imidazolidine
CID 10331308
[(2R,3S)-3-(3-methoxyphenyl)pyrrolidin-2-yl]methanol
CID 131873349
2-ethyl-3-phenylpyrrolidine
CID 62354556
2-(2-bromophenyl)cyclobutan-1-amine
CID 105483632
[(1R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
CID 96994557

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-(2-bromophenyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,3S)-3-(2-bromophenyl)pyrrolidin-2-yl]methanol (CID 131001241) is [(2S,3S)-3-(2-bromophenyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-3-(2-bromophenyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,3S)-3-(2-bromophenyl)pyrrolidin-2-yl]methanol is OC[C@H]1NCC[C@H]1c1ccccc1Br.
What is the InChIKey of [(2S,3S)-3-(2-bromophenyl)pyrrolidin-2-yl]methanol?
The InChIKey is FDOPQKYELNCIIJ-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H14BrNO/c12-10-4-2-1-3-8(10)9-5-6-13-11(9)7-14/h1-4,9,11,13-14H,5-7H2/t9-,11+/m0/s1.
What are the key properties of [(2S,3S)-3-(2-bromophenyl)pyrrolidin-2-yl]methanol?
[(2S,3S)-3-(2-bromophenyl)pyrrolidin-2-yl]methanol has a molecular weight of 256.14 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-(2-bromophenyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 131001241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).