2,4,6-tribromo-3-[(2R)-pyrrolidin-2-yl]phenol

C10H10Br3NO — CID 131482992

IUPAC2,4,6-tribromo-3-[(2R)-pyrrolidin-2-yl]phenol
SMILESOc1c(Br)cc(Br)c([C@H]2CCCN2)c1Br
InChIInChI=1S/C10H10Br3NO/c11-5-4-6(12)10(15)9(13)8(5)7-2-1-3-14-7/h4,7,14-15H,1-3H2/t7-/m1/s1
InChIKeyZQTFUGOFVIKMIX-SSDOTTSWSA-N
MW399.91 g/mol
LogP4.10
Rot. Bonds1

About 2,4,6-tribromo-3-[(2R)-pyrrolidin-2-yl]phenol

2,4,6-tribromo-3-[(2R)-pyrrolidin-2-yl]phenol (PubChem CID 131482992) has the molecular formula C10H10Br3NO and a molecular weight of 399.91 g/mol. Its IUPAC name is 2,4,6-tribromo-3-[(2R)-pyrrolidin-2-yl]phenol.

Molecular Properties

Compound Name2,4,6-tribromo-3-[(2R)-pyrrolidin-2-yl]phenol
PubChem CID131482992
Molecular FormulaC10H10Br3NO
Molecular Weight399.91 g/mol
Exact Mass396.83
IUPAC Name2,4,6-tribromo-3-[(2R)-pyrrolidin-2-yl]phenol
SMILESOc1c(Br)cc(Br)c([C@H]2CCCN2)c1Br
InChIInChI=1S/C10H10Br3NO/c11-5-4-6(12)10(15)9(13)8(5)7-2-1-3-14-7/h4,7,14-15H,1-3H2/t7-/m1/s1
InChIKeyZQTFUGOFVIKMIX-SSDOTTSWSA-N
XLogP4.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.91
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-3-chloro-2-[(2S)-pyrrolidin-2-yl]phenol
CID 131173682
5-bromo-2,3-dimethoxy-6-pyrrolidin-2-ylphenol
CID 117486236
5-bromo-3-fluoro-4-piperidin-2-ylbenzene-1,2-diol
CID 117468272
6-bromo-2,3-difluoro-4-pyrrolidin-2-ylphenol
CID 117445443
(2R)-2-(4-bromo-2,6-difluorophenyl)pyrrolidine
CID 130663850
3-bromo-5-methyl-2-piperidin-2-ylphenol
CID 84808995
2-(2-bromo-4,6-dimethoxyphenyl)pyrrolidine
CID 117460943
3-bromo-4-hydroxy-5-[(2S)-pyrrolidin-2-yl]benzoic acid
CID 131317777
2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66519675
3,6-dimethyl-2-[(2S)-pyrrolidin-2-yl]phenol
CID 96751347
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol
CID 66519672
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171195910

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-3-[(2R)-pyrrolidin-2-yl]phenol?
The IUPAC name of 2,4,6-tribromo-3-[(2R)-pyrrolidin-2-yl]phenol (CID 131482992) is 2,4,6-tribromo-3-[(2R)-pyrrolidin-2-yl]phenol.
What is the SMILES notation for 2,4,6-tribromo-3-[(2R)-pyrrolidin-2-yl]phenol?
The canonical SMILES for 2,4,6-tribromo-3-[(2R)-pyrrolidin-2-yl]phenol is Oc1c(Br)cc(Br)c([C@H]2CCCN2)c1Br.
What is the InChIKey of 2,4,6-tribromo-3-[(2R)-pyrrolidin-2-yl]phenol?
The InChIKey is ZQTFUGOFVIKMIX-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H10Br3NO/c11-5-4-6(12)10(15)9(13)8(5)7-2-1-3-14-7/h4,7,14-15H,1-3H2/t7-/m1/s1.
What are the key properties of 2,4,6-tribromo-3-[(2R)-pyrrolidin-2-yl]phenol?
2,4,6-tribromo-3-[(2R)-pyrrolidin-2-yl]phenol has a molecular weight of 399.91 g/mol, XLogP of 4.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-3-[(2R)-pyrrolidin-2-yl]phenol is sourced from PubChem (CID 131482992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).