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

C10H11BrClNO — CID 131086790

IUPAC2-bromo-3-chloro-6-[(2R)-pyrrolidin-2-yl]phenol
SMILESOc1c([C@H]2CCCN2)ccc(Cl)c1Br
InChIInChI=1S/C10H11BrClNO/c11-9-7(12)4-3-6(10(9)14)8-2-1-5-13-8/h3-4,8,13-14H,1-2,5H2/t8-/m1/s1
InChIKeyMWVWXWGFKJGJLG-MRVPVSSYSA-N
MW276.56 g/mol
LogP3.23
Rot. Bonds1

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

2-bromo-3-chloro-6-[(2R)-pyrrolidin-2-yl]phenol (PubChem CID 131086790) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is 2-bromo-3-chloro-6-[(2R)-pyrrolidin-2-yl]phenol.

Molecular Properties

Compound Name2-bromo-3-chloro-6-[(2R)-pyrrolidin-2-yl]phenol
PubChem CID131086790
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC Name2-bromo-3-chloro-6-[(2R)-pyrrolidin-2-yl]phenol
SMILESOc1c([C@H]2CCCN2)ccc(Cl)c1Br
InChIInChI=1S/C10H11BrClNO/c11-9-7(12)4-3-6(10(9)14)8-2-1-5-13-8/h3-4,8,13-14H,1-2,5H2/t8-/m1/s1
InChIKeyMWVWXWGFKJGJLG-MRVPVSSYSA-N
XLogP3.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 53.23
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

3-chloro-2-fluoro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518689
2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518543
2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66519675
6-bromo-3-chloro-2-[(2S)-pyrrolidin-2-yl]phenol
CID 131173682
3-bromo-2-fluoro-6-[(2R)-pyrrolidin-2-yl]phenol
CID 131052061
3-chloro-4-pyrrolidin-2-ylphenol
CID 55271327
3-chloro-4-[(2S)-pyrrolidin-2-yl]phenol
CID 55252487
(2R)-2-(4-bromo-2-chlorophenyl)pyrrolidine;hydrochloride
CID 171195907
2-bromo-3,4-dimethoxy-6-pyrrolidin-2-ylphenol
CID 117486235
(2S)-2-(2,3-dibromophenyl)pyrrolidine
CID 131217135
3-[(2R)-piperidin-2-yl]benzene-1,2-diol
CID 130665742
(2S)-2-(2-bromo-4-chlorophenyl)pyrrolidine;hydrochloride
CID 171196306

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-6-[(2R)-pyrrolidin-2-yl]phenol?
The IUPAC name of 2-bromo-3-chloro-6-[(2R)-pyrrolidin-2-yl]phenol (CID 131086790) is 2-bromo-3-chloro-6-[(2R)-pyrrolidin-2-yl]phenol.
What is the SMILES notation for 2-bromo-3-chloro-6-[(2R)-pyrrolidin-2-yl]phenol?
The canonical SMILES for 2-bromo-3-chloro-6-[(2R)-pyrrolidin-2-yl]phenol is Oc1c([C@H]2CCCN2)ccc(Cl)c1Br.
What is the InChIKey of 2-bromo-3-chloro-6-[(2R)-pyrrolidin-2-yl]phenol?
The InChIKey is MWVWXWGFKJGJLG-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11BrClNO/c11-9-7(12)4-3-6(10(9)14)8-2-1-5-13-8/h3-4,8,13-14H,1-2,5H2/t8-/m1/s1.
What are the key properties of 2-bromo-3-chloro-6-[(2R)-pyrrolidin-2-yl]phenol?
2-bromo-3-chloro-6-[(2R)-pyrrolidin-2-yl]phenol has a molecular weight of 276.56 g/mol, XLogP of 3.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-6-[(2R)-pyrrolidin-2-yl]phenol is sourced from PubChem (CID 131086790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).