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

C10H11BrClNO — CID 131173682

IUPAC6-bromo-3-chloro-2-[(2S)-pyrrolidin-2-yl]phenol
SMILESOc1c(Br)ccc(Cl)c1[C@@H]1CCCN1
InChIInChI=1S/C10H11BrClNO/c11-6-3-4-7(12)9(10(6)14)8-2-1-5-13-8/h3-4,8,13-14H,1-2,5H2/t8-/m0/s1
InChIKeyRJDIHWOFHCVDQN-QMMMGPOBSA-N
MW276.56 g/mol
LogP3.23
Rot. Bonds1

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

6-bromo-3-chloro-2-[(2S)-pyrrolidin-2-yl]phenol (PubChem CID 131173682) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is 6-bromo-3-chloro-2-[(2S)-pyrrolidin-2-yl]phenol.

Molecular Properties

Compound Name6-bromo-3-chloro-2-[(2S)-pyrrolidin-2-yl]phenol
PubChem CID131173682
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC Name6-bromo-3-chloro-2-[(2S)-pyrrolidin-2-yl]phenol
SMILESOc1c(Br)ccc(Cl)c1[C@@H]1CCCN1
InChIInChI=1S/C10H11BrClNO/c11-6-3-4-7(12)9(10(6)14)8-2-1-5-13-8/h3-4,8,13-14H,1-2,5H2/t8-/m0/s1
InChIKeyRJDIHWOFHCVDQN-QMMMGPOBSA-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

(2S)-2-(2,3,6-trichlorophenyl)pyrrolidine
CID 130622124
2-[(2S)-azetidin-2-yl]-3-bromo-6-chlorophenol
CID 130912925
(2R)-2-(2-bromo-6-chloro-3-fluorophenyl)pyrrolidine
CID 131096633
2-bromo-3-chloro-6-[(2R)-pyrrolidin-2-yl]phenol
CID 131086790
(2R)-2-(2,3,6-trichlorophenyl)pyrrolidine;hydrochloride
CID 171196089
2-(3-bromo-4-chlorophenyl)pyrrolidine
CID 53403563
2,4,6-tribromo-3-[(2R)-pyrrolidin-2-yl]phenol
CID 131482992
(2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride
CID 171196289
2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66519675
3-bromo-2-fluoro-6-[(2R)-pyrrolidin-2-yl]phenol
CID 131052061
3-chloro-2-fluoro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518689
2,6-dichloro-4-[(2S)-pyrrolidin-2-yl]phenol
CID 130664608

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-chloro-2-[(2S)-pyrrolidin-2-yl]phenol?
The IUPAC name of 6-bromo-3-chloro-2-[(2S)-pyrrolidin-2-yl]phenol (CID 131173682) is 6-bromo-3-chloro-2-[(2S)-pyrrolidin-2-yl]phenol.
What is the SMILES notation for 6-bromo-3-chloro-2-[(2S)-pyrrolidin-2-yl]phenol?
The canonical SMILES for 6-bromo-3-chloro-2-[(2S)-pyrrolidin-2-yl]phenol is Oc1c(Br)ccc(Cl)c1[C@@H]1CCCN1.
What is the InChIKey of 6-bromo-3-chloro-2-[(2S)-pyrrolidin-2-yl]phenol?
The InChIKey is RJDIHWOFHCVDQN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11BrClNO/c11-6-3-4-7(12)9(10(6)14)8-2-1-5-13-8/h3-4,8,13-14H,1-2,5H2/t8-/m0/s1.
What are the key properties of 6-bromo-3-chloro-2-[(2S)-pyrrolidin-2-yl]phenol?
6-bromo-3-chloro-2-[(2S)-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 6-bromo-3-chloro-2-[(2S)-pyrrolidin-2-yl]phenol is sourced from PubChem (CID 131173682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).