[(2S,5R)-5-(4-bromophenyl)pyrrolidin-2-yl]methanol

C11H14BrNO — CID 131081603

IUPAC[(2S,5R)-5-(4-bromophenyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CC[C@H](c2ccc(Br)cc2)N1
InChIInChI=1S/C11H14BrNO/c12-9-3-1-8(2-4-9)11-6-5-10(7-14)13-11/h1-4,10-11,13-14H,5-7H2/t10-,11+/m0/s1
InChIKeySNFJZJVKYBPCAI-WDEREUQCSA-N
MW256.14 g/mol
LogP2.23
Rot. Bonds2

About [(2S,5R)-5-(4-bromophenyl)pyrrolidin-2-yl]methanol

[(2S,5R)-5-(4-bromophenyl)pyrrolidin-2-yl]methanol (PubChem CID 131081603) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is [(2S,5R)-5-(4-bromophenyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-(4-bromophenyl)pyrrolidin-2-yl]methanol
PubChem CID131081603
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name[(2S,5R)-5-(4-bromophenyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CC[C@H](c2ccc(Br)cc2)N1
InChIInChI=1S/C11H14BrNO/c12-9-3-1-8(2-4-9)11-6-5-10(7-14)13-11/h1-4,10-11,13-14H,5-7H2/t10-,11+/m0/s1
InChIKeySNFJZJVKYBPCAI-WDEREUQCSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[6-(4-bromophenyl)piperidin-2-yl]methanol
CID 117168214
2-[(6S)-6-(4-bromophenyl)piperidin-2-yl]ethanol
CID 170224579
4-(5-propylpyrrolidin-2-yl)phenol
CID 143549456
[(2R,5S)-5-(2,4,6-trifluorophenyl)pyrrolidin-2-yl]methanol
CID 67464474
(2S)-2-(4-bromophenyl)azetidine
CID 91980119
(2S,5S)-2-ethyl-5-(4-fluorophenyl)pyrrolidine
CID 146633643
(2S,5S)-2-(4-bromophenyl)-5-(3-methylphenyl)pyrrolidine
CID 162419383
3-(4-bromophenyl)-5-(chloromethyl)pyrazolidine
CID 77099447
[6-(4-bromophenyl)piperidin-3-yl]methanamine
CID 82379402
[(1S,3R)-3-(4-bromophenyl)cyclopentyl]methanol
CID 138467946
(6-bromo-2,3-dihydro-1H-indol-2-yl)methanol
CID 83918189
[(4S)-4-(4-bromophenyl)piperidin-3-yl]methanol
CID 71228209

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(4-bromophenyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-(4-bromophenyl)pyrrolidin-2-yl]methanol (CID 131081603) is [(2S,5R)-5-(4-bromophenyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-(4-bromophenyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-(4-bromophenyl)pyrrolidin-2-yl]methanol is OC[C@@H]1CC[C@H](c2ccc(Br)cc2)N1.
What is the InChIKey of [(2S,5R)-5-(4-bromophenyl)pyrrolidin-2-yl]methanol?
The InChIKey is SNFJZJVKYBPCAI-WDEREUQCSA-N. The full InChI is InChI=1S/C11H14BrNO/c12-9-3-1-8(2-4-9)11-6-5-10(7-14)13-11/h1-4,10-11,13-14H,5-7H2/t10-,11+/m0/s1.
What are the key properties of [(2S,5R)-5-(4-bromophenyl)pyrrolidin-2-yl]methanol?
[(2S,5R)-5-(4-bromophenyl)pyrrolidin-2-yl]methanol has a molecular weight of 256.14 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(4-bromophenyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 131081603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).