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

C9H11I2NO2 — CID 130604734

IUPAC2-[(1S,2R)-1-amino-2-hydroxypropyl]-4,6-diiodophenol
SMILESC[C@@H](O)[C@@H](N)c1cc(I)cc(I)c1O
InChIInChI=1S/C9H11I2NO2/c1-4(13)8(12)6-2-5(10)3-7(11)9(6)14/h2-4,8,13-14H,12H2,1H3/t4-,8-/m1/s1
InChIKeyUDCBHRNFWZQDLX-SPGJFGJESA-N
MW419.00 g/mol
LogP1.98
Rot. Bonds2

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

2-[(1S,2R)-1-amino-2-hydroxypropyl]-4,6-diiodophenol (PubChem CID 130604734) has the molecular formula C9H11I2NO2 and a molecular weight of 419.00 g/mol. Its IUPAC name is 2-[(1S,2R)-1-amino-2-hydroxypropyl]-4,6-diiodophenol.

Molecular Properties

Compound Name2-[(1S,2R)-1-amino-2-hydroxypropyl]-4,6-diiodophenol
PubChem CID130604734
Molecular FormulaC9H11I2NO2
Molecular Weight419.00 g/mol
Exact Mass418.89
IUPAC Name2-[(1S,2R)-1-amino-2-hydroxypropyl]-4,6-diiodophenol
SMILESC[C@@H](O)[C@@H](N)c1cc(I)cc(I)c1O
InChIInChI=1S/C9H11I2NO2/c1-4(13)8(12)6-2-5(10)3-7(11)9(6)14/h2-4,8,13-14H,12H2,1H3/t4-,8-/m1/s1
InChIKeyUDCBHRNFWZQDLX-SPGJFGJESA-N
XLogP1.98
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.00
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S,2R)-1-amino-2-hydroxypropyl]-4,6-diiodophenol;hydrochloride
CID 171271638
2-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-4,6-diiodophenol;hydrochloride
CID 171271648
2-[(1S)-1-aminoethyl]-4,6-diiodophenol
CID 130709990
2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-4,6-diiodophenol
CID 171271640
2-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-4,6-diiodophenol
CID 171265985
2-[(1S,2R)-1-amino-2-hydroxyhexyl]-4,6-diiodophenol
CID 171271657
2-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-4,6-diiodophenol
CID 171265975
2-[(1R)-1-amino-2,2-dimethylpropyl]-4,6-diiodophenol;hydrochloride
CID 171251664
(1S,2R)-1-amino-1-(2-amino-5-iodophenyl)propan-2-ol
CID 131118871
2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol
CID 171271661
2-[(1S)-1-aminobutyl]-4,6-diiodophenol
CID 131101034
2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol;hydrochloride
CID 171265996

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-1-amino-2-hydroxypropyl]-4,6-diiodophenol?
The IUPAC name of 2-[(1S,2R)-1-amino-2-hydroxypropyl]-4,6-diiodophenol (CID 130604734) is 2-[(1S,2R)-1-amino-2-hydroxypropyl]-4,6-diiodophenol.
What is the SMILES notation for 2-[(1S,2R)-1-amino-2-hydroxypropyl]-4,6-diiodophenol?
The canonical SMILES for 2-[(1S,2R)-1-amino-2-hydroxypropyl]-4,6-diiodophenol is C[C@@H](O)[C@@H](N)c1cc(I)cc(I)c1O.
What is the InChIKey of 2-[(1S,2R)-1-amino-2-hydroxypropyl]-4,6-diiodophenol?
The InChIKey is UDCBHRNFWZQDLX-SPGJFGJESA-N. The full InChI is InChI=1S/C9H11I2NO2/c1-4(13)8(12)6-2-5(10)3-7(11)9(6)14/h2-4,8,13-14H,12H2,1H3/t4-,8-/m1/s1.
What are the key properties of 2-[(1S,2R)-1-amino-2-hydroxypropyl]-4,6-diiodophenol?
2-[(1S,2R)-1-amino-2-hydroxypropyl]-4,6-diiodophenol has a molecular weight of 419.00 g/mol, XLogP of 1.98, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-1-amino-2-hydroxypropyl]-4,6-diiodophenol is sourced from PubChem (CID 130604734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).