(3R)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]pyrrolidin-3-ol

C11H13Br2NO2 — CID 103917970

IUPAC(3R)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]pyrrolidin-3-ol
SMILESOc1c(Br)cc(Br)cc1CN1CC[C@@H](O)C1
InChIInChI=1S/C11H13Br2NO2/c12-8-3-7(11(16)10(13)4-8)5-14-2-1-9(15)6-14/h3-4,9,15-16H,1-2,5-6H2/t9-/m1/s1
InChIKeyBZTSUYFOYVDIQV-SECBINFHSA-N
MW351.04 g/mol
LogP2.48
Rot. Bonds2

About (3R)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]pyrrolidin-3-ol

(3R)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]pyrrolidin-3-ol (PubChem CID 103917970) has the molecular formula C11H13Br2NO2 and a molecular weight of 351.04 g/mol. Its IUPAC name is (3R)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]pyrrolidin-3-ol
PubChem CID103917970
Molecular FormulaC11H13Br2NO2
Molecular Weight351.04 g/mol
Exact Mass348.93
IUPAC Name(3R)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]pyrrolidin-3-ol
SMILESOc1c(Br)cc(Br)cc1CN1CC[C@@H](O)C1
InChIInChI=1S/C11H13Br2NO2/c12-8-3-7(11(16)10(13)4-8)5-14-2-1-9(15)6-14/h3-4,9,15-16H,1-2,5-6H2/t9-/m1/s1
InChIKeyBZTSUYFOYVDIQV-SECBINFHSA-N
XLogP2.48
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.04
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-ol
CID 78963344
(3S)-1-[(5-bromo-2-chlorophenyl)methyl]pyrrolidin-3-ol
CID 103663267
1-[(4-amino-2-bromophenyl)methyl]pyrrolidin-3-ol
CID 62941685
(3S)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-3-ol
CID 103882994
(3S)-1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-ol
CID 79673830
(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
CID 59424626
(3S)-1-[(2-hydroxy-4,5-dimethylphenyl)methyl]pyrrolidin-3-ol
CID 103882967
(3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882000
(3S)-1-[(3-bromo-4-chlorophenyl)methyl]pyrrolidin-3-ol
CID 103917989
1-[(5-bromo-2-hydroxyphenyl)methyl]azetidin-3-ol
CID 121200307
1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol
CID 24904964
1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-ol
CID 62021902

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]pyrrolidin-3-ol (CID 103917970) is (3R)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]pyrrolidin-3-ol is Oc1c(Br)cc(Br)cc1CN1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]pyrrolidin-3-ol?
The InChIKey is BZTSUYFOYVDIQV-SECBINFHSA-N. The full InChI is InChI=1S/C11H13Br2NO2/c12-8-3-7(11(16)10(13)4-8)5-14-2-1-9(15)6-14/h3-4,9,15-16H,1-2,5-6H2/t9-/m1/s1.
What are the key properties of (3R)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]pyrrolidin-3-ol?
(3R)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]pyrrolidin-3-ol has a molecular weight of 351.04 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 103917970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).