2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol

C10H12BrNO — CID 66519675

IUPAC2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol
SMILESOc1c(Br)cccc1[C@@H]1CCCN1
InChIInChI=1S/C10H12BrNO/c11-8-4-1-3-7(10(8)13)9-5-2-6-12-9/h1,3-4,9,12-13H,2,5-6H2/t9-/m0/s1
InChIKeyPTKBGAITURARQJ-VIFPVBQESA-N
MW242.12 g/mol
LogP2.58
Rot. Bonds1

About 2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol

2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol (PubChem CID 66519675) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol.

Molecular Properties

Compound Name2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol
PubChem CID66519675
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol
SMILESOc1c(Br)cccc1[C@@H]1CCCN1
InChIInChI=1S/C10H12BrNO/c11-8-4-1-3-7(10(8)13)9-5-2-6-12-9/h1,3-4,9,12-13H,2,5-6H2/t9-/m0/s1
InChIKeyPTKBGAITURARQJ-VIFPVBQESA-N
XLogP2.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2,3-dibromophenyl)pyrrolidine
CID 131217135
3-bromo-2-fluoro-6-[(2R)-pyrrolidin-2-yl]phenol
CID 131052061
2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518543
3-[(2R)-piperidin-2-yl]benzene-1,2-diol
CID 130665742
3-[(2S)-piperidin-2-yl]benzene-1,2-diol;hydrochloride
CID 171194852
2-(hydroxymethyl)-6-[(2S)-pyrrolidin-2-yl]phenol
CID 55263489
2-bromo-3-chloro-6-[(2R)-pyrrolidin-2-yl]phenol
CID 131086790
2-propan-2-yl-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518911
2-(3-bromo-2-fluorophenyl)azepane
CID 106646528
(2R)-2-(3-bromo-2-fluorophenyl)piperidine;hydrochloride
CID 171195428
2-ethoxy-6-[(2S)-pyrrolidin-2-yl]phenol
CID 131597321
2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethoxy)phenol
CID 171259764

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol?
The IUPAC name of 2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol (CID 66519675) is 2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol.
What is the SMILES notation for 2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol?
The canonical SMILES for 2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol is Oc1c(Br)cccc1[C@@H]1CCCN1.
What is the InChIKey of 2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol?
The InChIKey is PTKBGAITURARQJ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12BrNO/c11-8-4-1-3-7(10(8)13)9-5-2-6-12-9/h1,3-4,9,12-13H,2,5-6H2/t9-/m0/s1.
What are the key properties of 2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol?
2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol has a molecular weight of 242.12 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol is sourced from PubChem (CID 66519675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).