2-[(2R)-azetidin-2-yl]-4-bromo-6-chlorophenol

C9H9BrClNO — CID 130673866

IUPAC2-[(2R)-azetidin-2-yl]-4-bromo-6-chlorophenol
SMILESOc1c(Cl)cc(Br)cc1[C@H]1CCN1
InChIInChI=1S/C9H9BrClNO/c10-5-3-6(8-1-2-12-8)9(13)7(11)4-5/h3-4,8,12-13H,1-2H2/t8-/m1/s1
InChIKeyCHTSAKDAZMNPAG-MRVPVSSYSA-N
MW262.53 g/mol
LogP2.84
Rot. Bonds1

About 2-[(2R)-azetidin-2-yl]-4-bromo-6-chlorophenol

2-[(2R)-azetidin-2-yl]-4-bromo-6-chlorophenol (PubChem CID 130673866) has the molecular formula C9H9BrClNO and a molecular weight of 262.53 g/mol. Its IUPAC name is 2-[(2R)-azetidin-2-yl]-4-bromo-6-chlorophenol.

Molecular Properties

Compound Name2-[(2R)-azetidin-2-yl]-4-bromo-6-chlorophenol
PubChem CID130673866
Molecular FormulaC9H9BrClNO
Molecular Weight262.53 g/mol
Exact Mass260.96
IUPAC Name2-[(2R)-azetidin-2-yl]-4-bromo-6-chlorophenol
SMILESOc1c(Cl)cc(Br)cc1[C@H]1CCN1
InChIInChI=1S/C9H9BrClNO/c10-5-3-6(8-1-2-12-8)9(13)7(11)4-5/h3-4,8,12-13H,1-2H2/t8-/m1/s1
InChIKeyCHTSAKDAZMNPAG-MRVPVSSYSA-N
XLogP2.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.53
LogP ≤ 52.84
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

2-[(2S)-azetidin-2-yl]-6-chloro-4-methylphenol
CID 55265546
2-[(2S)-azetidin-2-yl]-4,6-dichlorophenol;hydrochloride
CID 171196609
2-[(2S)-azetidin-2-yl]-4-bromo-6-methoxyphenol
CID 130699449
2-[(2R)-azetidin-2-yl]-4-bromo-6-(trifluoromethyl)phenol
CID 131498458
(2S)-2-(4-bromo-2-chlorophenyl)azetidine
CID 130624540
2-[(2S)-azetidin-2-yl]-4-bromo-6-nitrophenol
CID 131268033
2-(azetidin-2-yl)-6-bromo-4-fluorophenol
CID 131124098
2-[(2R)-azetidin-2-yl]-6-bromo-4-fluorophenol
CID 130983518
4-bromo-2-methyl-6-pyrrolidin-2-ylphenol
CID 117393322
4-[(2R)-azetidin-2-yl]-3-chlorophenol
CID 130700334
2-[(2S)-azetidin-2-yl]-6-bromo-4-methoxyphenol
CID 130725443
2-[(2S)-azetidin-2-yl]-4-chloro-6-(hydroxymethyl)phenol
CID 130657242

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-azetidin-2-yl]-4-bromo-6-chlorophenol?
The IUPAC name of 2-[(2R)-azetidin-2-yl]-4-bromo-6-chlorophenol (CID 130673866) is 2-[(2R)-azetidin-2-yl]-4-bromo-6-chlorophenol.
What is the SMILES notation for 2-[(2R)-azetidin-2-yl]-4-bromo-6-chlorophenol?
The canonical SMILES for 2-[(2R)-azetidin-2-yl]-4-bromo-6-chlorophenol is Oc1c(Cl)cc(Br)cc1[C@H]1CCN1.
What is the InChIKey of 2-[(2R)-azetidin-2-yl]-4-bromo-6-chlorophenol?
The InChIKey is CHTSAKDAZMNPAG-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9BrClNO/c10-5-3-6(8-1-2-12-8)9(13)7(11)4-5/h3-4,8,12-13H,1-2H2/t8-/m1/s1.
What are the key properties of 2-[(2R)-azetidin-2-yl]-4-bromo-6-chlorophenol?
2-[(2R)-azetidin-2-yl]-4-bromo-6-chlorophenol has a molecular weight of 262.53 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-azetidin-2-yl]-4-bromo-6-chlorophenol is sourced from PubChem (CID 130673866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).