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

C12H15BrFNO — CID 62371729

IUPAC[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(Cc2cc(Br)ccc2F)C1
InChIInChI=1S/C12H15BrFNO/c13-11-1-2-12(14)10(5-11)7-15-4-3-9(6-15)8-16/h1-2,5,9,16H,3-4,6-8H2
InChIKeyWRKRNQPGJDDNSY-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.40
Rot. Bonds3

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

[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 62371729) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is [1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
PubChem CID62371729
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(Cc2cc(Br)ccc2F)C1
InChIInChI=1S/C12H15BrFNO/c13-11-1-2-12(14)10(5-11)7-15-4-3-9(6-15)8-16/h1-2,5,9,16H,3-4,6-8H2
InChIKeyWRKRNQPGJDDNSY-UHFFFAOYSA-N
XLogP2.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[(5-bromo-2-fluorophenyl)methyl]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

(3R)-1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-ol
CID 78963344
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 60644953
[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909746
4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]piperidine
CID 80679697
1-[(5-bromo-2-fluorophenyl)methyl]-3-chloro-4-methylpiperidine
CID 102959942
[1-[[5-(aminomethyl)-2-fluorophenyl]methyl]piperidin-3-yl]methanol
CID 43590160
1-[(5-bromo-2-fluorophenyl)methyl]-N'-hydroxypiperidine-4-carboximidamide
CID 77038667
2-[(5-bromo-2-fluorophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49234241
4-fluoro-3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 43403794
4-fluoro-3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 107452202
4-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)morpholine
CID 81210968
[(3S)-1-[(3-bromo-4-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 40514424

Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol (CID 62371729) is [1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol is OCC1CCN(Cc2cc(Br)ccc2F)C1.
What is the InChIKey of [1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is WRKRNQPGJDDNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c13-11-1-2-12(14)10(5-11)7-15-4-3-9(6-15)8-16/h1-2,5,9,16H,3-4,6-8H2.
What are the key properties of [1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol?
[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 288.16 g/mol, XLogP of 2.40, 3 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)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 62371729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).