3-bromo-2-fluoro-6-[(2R)-pyrrolidin-2-yl]phenol

C10H11BrFNO — CID 131052061

IUPAC3-bromo-2-fluoro-6-[(2R)-pyrrolidin-2-yl]phenol
SMILESOc1c([C@H]2CCCN2)ccc(Br)c1F
InChIInChI=1S/C10H11BrFNO/c11-7-4-3-6(10(14)9(7)12)8-2-1-5-13-8/h3-4,8,13-14H,1-2,5H2/t8-/m1/s1
InChIKeySJFBKICXYFIVMC-MRVPVSSYSA-N
MW260.11 g/mol
LogP2.72
Rot. Bonds1

About 3-bromo-2-fluoro-6-[(2R)-pyrrolidin-2-yl]phenol

3-bromo-2-fluoro-6-[(2R)-pyrrolidin-2-yl]phenol (PubChem CID 131052061) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is 3-bromo-2-fluoro-6-[(2R)-pyrrolidin-2-yl]phenol.

Molecular Properties

Compound Name3-bromo-2-fluoro-6-[(2R)-pyrrolidin-2-yl]phenol
PubChem CID131052061
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name3-bromo-2-fluoro-6-[(2R)-pyrrolidin-2-yl]phenol
SMILESOc1c([C@H]2CCCN2)ccc(Br)c1F
InChIInChI=1S/C10H11BrFNO/c11-7-4-3-6(10(14)9(7)12)8-2-1-5-13-8/h3-4,8,13-14H,1-2,5H2/t8-/m1/s1
InChIKeySJFBKICXYFIVMC-MRVPVSSYSA-N
XLogP2.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 3-bromo-2-fluoro-6-[(2R)-pyrrolidin-2-yl]phenol 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

2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66519675
3-chloro-2-fluoro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518689
6-bromo-2,3-difluoro-4-pyrrolidin-2-ylphenol
CID 117445443
2-(3-bromo-2-fluorophenyl)azepane
CID 106646528
2-bromo-3-chloro-6-[(2R)-pyrrolidin-2-yl]phenol
CID 131086790
(2R)-2-(3-bromo-2-fluorophenyl)piperidine;hydrochloride
CID 171195428
2-(4-bromo-2-fluoro-3-methylphenyl)piperidine
CID 117432838
2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518543
3-[(2R)-piperidin-2-yl]benzene-1,2-diol
CID 130665742
(2S)-2-(2,3-dibromophenyl)pyrrolidine
CID 131217135
(2S)-2-(2,4-dibromophenyl)pyrrolidine
CID 130706941
(2R)-2-(2,5-dibromophenyl)pyrrolidine
CID 131190573

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-6-[(2R)-pyrrolidin-2-yl]phenol?
The IUPAC name of 3-bromo-2-fluoro-6-[(2R)-pyrrolidin-2-yl]phenol (CID 131052061) is 3-bromo-2-fluoro-6-[(2R)-pyrrolidin-2-yl]phenol.
What is the SMILES notation for 3-bromo-2-fluoro-6-[(2R)-pyrrolidin-2-yl]phenol?
The canonical SMILES for 3-bromo-2-fluoro-6-[(2R)-pyrrolidin-2-yl]phenol is Oc1c([C@H]2CCCN2)ccc(Br)c1F.
What is the InChIKey of 3-bromo-2-fluoro-6-[(2R)-pyrrolidin-2-yl]phenol?
The InChIKey is SJFBKICXYFIVMC-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c11-7-4-3-6(10(14)9(7)12)8-2-1-5-13-8/h3-4,8,13-14H,1-2,5H2/t8-/m1/s1.
What are the key properties of 3-bromo-2-fluoro-6-[(2R)-pyrrolidin-2-yl]phenol?
3-bromo-2-fluoro-6-[(2R)-pyrrolidin-2-yl]phenol has a molecular weight of 260.11 g/mol, XLogP of 2.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-6-[(2R)-pyrrolidin-2-yl]phenol is sourced from PubChem (CID 131052061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).