[1-(5-bromo-2-fluorophenyl)pyrrolidin-3-yl]methanol

C11H13BrFNO — CID 64866678

IUPAC[1-(5-bromo-2-fluorophenyl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2cc(Br)ccc2F)C1
InChIInChI=1S/C11H13BrFNO/c12-9-1-2-10(13)11(5-9)14-4-3-8(6-14)7-15/h1-2,5,8,15H,3-4,6-7H2
InChIKeyFPAQFSLXOFJAFN-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.41
Rot. Bonds2

About [1-(5-bromo-2-fluorophenyl)pyrrolidin-3-yl]methanol

[1-(5-bromo-2-fluorophenyl)pyrrolidin-3-yl]methanol (PubChem CID 64866678) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is [1-(5-bromo-2-fluorophenyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(5-bromo-2-fluorophenyl)pyrrolidin-3-yl]methanol
PubChem CID64866678
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name[1-(5-bromo-2-fluorophenyl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2cc(Br)ccc2F)C1
InChIInChI=1S/C11H13BrFNO/c12-9-1-2-10(13)11(5-9)14-4-3-8(6-14)7-15/h1-2,5,8,15H,3-4,6-7H2
InChIKeyFPAQFSLXOFJAFN-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(5-bromo-2-fluorophenyl)pyrrolidin-3-yl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

(1-Phenylpyrrolidin-3-yl)methanol
CID 17999087
1-(4-Bromophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 9993255
1-(4-Bromophenyl)-3-pyrrolidinol
CID 59158899
2,2'-((3-Bromophenyl)imino)bisethanol
CID 6454352
[1-(2-Fluorophenyl)pyrrolidin-3-yl]methanol
CID 24275472
3-Pyrrolidinemethanol, 1-(4-fluorophenyl)-, hydrochloride
CID 24275473
1-(3-Bromo-5-fluorophenyl)pyrrolidine
CID 53216219
1-(5-Bromo-2-fluorophenyl)pyrrolidine
CID 53216935
1-(3-Bromo-5-fluorophenyl)piperidin-4-ol
CID 59588084
[(2S,4S)-1-(4-bromophenyl)-4-fluoropyrrolidin-2-yl]methanol
CID 67085372
(S)-1-(3-bromophenyl)-3-fluoropyrrolidine
CID 67170346
1-(3-Bromophenyl)-3-fluoropyrrolidine
CID 67170347

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-fluorophenyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(5-bromo-2-fluorophenyl)pyrrolidin-3-yl]methanol (CID 64866678) is [1-(5-bromo-2-fluorophenyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(5-bromo-2-fluorophenyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(5-bromo-2-fluorophenyl)pyrrolidin-3-yl]methanol is OCC1CCN(c2cc(Br)ccc2F)C1.
What is the InChIKey of [1-(5-bromo-2-fluorophenyl)pyrrolidin-3-yl]methanol?
The InChIKey is FPAQFSLXOFJAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-9-1-2-10(13)11(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-(5-bromo-2-fluorophenyl)pyrrolidin-3-yl]methanol?
[1-(5-bromo-2-fluorophenyl)pyrrolidin-3-yl]methanol has a molecular weight of 274.13 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2-fluorophenyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 64866678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).