3-[(1R,2S)-1-amino-2-hydroxypropyl]-2,4,6-tribromophenol

C9H10Br3NO2 — CID 131435618

IUPAC3-[(1R,2S)-1-amino-2-hydroxypropyl]-2,4,6-tribromophenol
SMILESC[C@H](O)[C@H](N)c1c(Br)cc(Br)c(O)c1Br
InChIInChI=1S/C9H10Br3NO2/c1-3(14)8(13)6-4(10)2-5(11)9(15)7(6)12/h2-3,8,14-15H,13H2,1H3/t3-,8-/m0/s1
InChIKeyDTKXTYCNRLNRCL-SUZIUWRMSA-N
MW403.90 g/mol
LogP3.06
Rot. Bonds2

About 3-[(1R,2S)-1-amino-2-hydroxypropyl]-2,4,6-tribromophenol

3-[(1R,2S)-1-amino-2-hydroxypropyl]-2,4,6-tribromophenol (PubChem CID 131435618) has the molecular formula C9H10Br3NO2 and a molecular weight of 403.90 g/mol. Its IUPAC name is 3-[(1R,2S)-1-amino-2-hydroxypropyl]-2,4,6-tribromophenol.

Molecular Properties

Compound Name3-[(1R,2S)-1-amino-2-hydroxypropyl]-2,4,6-tribromophenol
PubChem CID131435618
Molecular FormulaC9H10Br3NO2
Molecular Weight403.90 g/mol
Exact Mass400.83
IUPAC Name3-[(1R,2S)-1-amino-2-hydroxypropyl]-2,4,6-tribromophenol
SMILESC[C@H](O)[C@H](N)c1c(Br)cc(Br)c(O)c1Br
InChIInChI=1S/C9H10Br3NO2/c1-3(14)8(13)6-4(10)2-5(11)9(15)7(6)12/h2-3,8,14-15H,13H2,1H3/t3-,8-/m0/s1
InChIKeyDTKXTYCNRLNRCL-SUZIUWRMSA-N
XLogP3.06
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.90
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1R)-1-amino-2,2-difluoroethyl]-2,4,6-tribromophenol;hydrochloride
CID 171245096
3-[(1R)-1-amino-3-methylbutyl]-2,4,6-tribromophenol
CID 131530626
3-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-2,4,6-tribromophenol
CID 171266180
3-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-2,4,6-tribromophenol;hydrochloride
CID 171266181
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride
CID 171261157
4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride
CID 171266843
3-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,4,6-tribromophenol;hydrochloride
CID 171271845
4-amino-2,6-dibromo-3-(1-hydroxyethyl)phenol
CID 19767394
(2R)-2-amino-2-(2,4,6-tribromo-3-hydroxyphenyl)acetonitrile
CID 130943688
3-[(1R)-1-amino-3,3-difluoropropyl]-2,4,6-tribromophenol
CID 131325612
3-[(1S)-1-aminobutyl]-2,4,6-tribromophenol
CID 131342741
2,4,6-tribromo-3-[(1R)-1,2-diaminoethyl]phenol;hydrochloride
CID 171236025

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2S)-1-amino-2-hydroxypropyl]-2,4,6-tribromophenol?
The IUPAC name of 3-[(1R,2S)-1-amino-2-hydroxypropyl]-2,4,6-tribromophenol (CID 131435618) is 3-[(1R,2S)-1-amino-2-hydroxypropyl]-2,4,6-tribromophenol.
What is the SMILES notation for 3-[(1R,2S)-1-amino-2-hydroxypropyl]-2,4,6-tribromophenol?
The canonical SMILES for 3-[(1R,2S)-1-amino-2-hydroxypropyl]-2,4,6-tribromophenol is C[C@H](O)[C@H](N)c1c(Br)cc(Br)c(O)c1Br.
What is the InChIKey of 3-[(1R,2S)-1-amino-2-hydroxypropyl]-2,4,6-tribromophenol?
The InChIKey is DTKXTYCNRLNRCL-SUZIUWRMSA-N. The full InChI is InChI=1S/C9H10Br3NO2/c1-3(14)8(13)6-4(10)2-5(11)9(15)7(6)12/h2-3,8,14-15H,13H2,1H3/t3-,8-/m0/s1.
What are the key properties of 3-[(1R,2S)-1-amino-2-hydroxypropyl]-2,4,6-tribromophenol?
3-[(1R,2S)-1-amino-2-hydroxypropyl]-2,4,6-tribromophenol has a molecular weight of 403.90 g/mol, XLogP of 3.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2S)-1-amino-2-hydroxypropyl]-2,4,6-tribromophenol is sourced from PubChem (CID 131435618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).