[1-(4-bromo-2-chlorophenyl)pyrrolidin-3-yl]methanol

C11H13BrClNO — CID 64863673

IUPAC[1-(4-bromo-2-chlorophenyl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2ccc(Br)cc2Cl)C1
InChIInChI=1S/C11H13BrClNO/c12-9-1-2-11(10(13)5-9)14-4-3-8(6-14)7-15/h1-2,5,8,15H,3-4,6-7H2
InChIKeyDFCBUUSTTPCELR-UHFFFAOYSA-N
MW290.59 g/mol
LogP2.92
Rot. Bonds2

About [1-(4-bromo-2-chlorophenyl)pyrrolidin-3-yl]methanol

[1-(4-bromo-2-chlorophenyl)pyrrolidin-3-yl]methanol (PubChem CID 64863673) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is [1-(4-bromo-2-chlorophenyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-bromo-2-chlorophenyl)pyrrolidin-3-yl]methanol
PubChem CID64863673
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC Name[1-(4-bromo-2-chlorophenyl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2ccc(Br)cc2Cl)C1
InChIInChI=1S/C11H13BrClNO/c12-9-1-2-11(10(13)5-9)14-4-3-8(6-14)7-15/h1-2,5,8,15H,3-4,6-7H2
InChIKeyDFCBUUSTTPCELR-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-bromo-2-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512586
[1-[4-(1-aminoethyl)-2-chlorophenyl]pyrrolidin-3-yl]methanol
CID 112625974
[1-[4-bromo-2-(hydroxymethyl)phenyl]piperidin-3-yl]methanol
CID 114061366
[1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidin-3-yl]methanol
CID 112624254
N-[[1-(5-bromo-2-chlorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 62914683
(5-bromo-2-chlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370584
[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanol
CID 64868848
[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methanamine
CID 61474220
4-bromo-2-[3-(hydroxymethyl)piperidin-1-yl]benzaldehyde
CID 43590395
1-[3-bromo-4-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 112626299
[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 94407883
[1-(3-chloro-2-nitrophenyl)pyrrolidin-3-yl]methanol
CID 104839141

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2-chlorophenyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(4-bromo-2-chlorophenyl)pyrrolidin-3-yl]methanol (CID 64863673) is [1-(4-bromo-2-chlorophenyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(4-bromo-2-chlorophenyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(4-bromo-2-chlorophenyl)pyrrolidin-3-yl]methanol is OCC1CCN(c2ccc(Br)cc2Cl)C1.
What is the InChIKey of [1-(4-bromo-2-chlorophenyl)pyrrolidin-3-yl]methanol?
The InChIKey is DFCBUUSTTPCELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO/c12-9-1-2-11(10(13)5-9)14-4-3-8(6-14)7-15/h1-2,5,8,15H,3-4,6-7H2.
What are the key properties of [1-(4-bromo-2-chlorophenyl)pyrrolidin-3-yl]methanol?
[1-(4-bromo-2-chlorophenyl)pyrrolidin-3-yl]methanol has a molecular weight of 290.59 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2-chlorophenyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 64863673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).