(3-amino-2,4,6-triiodophenyl)methanol

C7H6I3NO — CID 15092

IUPAC(3-amino-2,4,6-triiodophenyl)methanol
SMILESNc1c(I)cc(I)c(CO)c1I
InChIInChI=1S/C7H6I3NO/c8-4-1-5(9)7(11)6(10)3(4)2-12/h1,12H,2,11H2
InChIKeyVZQXILUNJAYEEK-UHFFFAOYSA-N
MW500.84 g/mol
LogP2.57
Rot. Bonds1

About (3-amino-2,4,6-triiodophenyl)methanol

(3-amino-2,4,6-triiodophenyl)methanol (PubChem CID 15092) has the molecular formula C7H6I3NO and a molecular weight of 500.84 g/mol. Its IUPAC name is (3-amino-2,4,6-triiodophenyl)methanol.

Molecular Properties

Compound Name(3-amino-2,4,6-triiodophenyl)methanol
PubChem CID15092
Molecular FormulaC7H6I3NO
Molecular Weight500.84 g/mol
Exact Mass500.76
IUPAC Name(3-amino-2,4,6-triiodophenyl)methanol
SMILESNc1c(I)cc(I)c(CO)c1I
InChIInChI=1S/C7H6I3NO/c8-4-1-5(9)7(11)6(10)3(4)2-12/h1,12H,2,11H2
InChIKeyVZQXILUNJAYEEK-UHFFFAOYSA-N
XLogP2.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.84
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(3-Aminophenyl)ethanol
CID 222461
3-Aminobenzyl alcohol
CID 80293
(3,5-Diaminophenyl)methanol
CID 586680
(1R)-1-(3-aminophenyl)ethan-1-ol
CID 643191
(5-Amino-2-fluorophenyl)methanol
CID 2737680
(alphaS)-3-Amino-alpha-methylbenzenemethanol
CID 6951327
(3-Amino-4-fluorophenyl)methanol
CID 13563644
(3-Amino-2,6-difluorophenyl)methanol
CID 45090693
(3-Amino-2-fluorophenyl)methanol
CID 53249229
(3-Azidophenyl)methanol
CID 54764213
(3-Amino-5-fluorophenyl)methanol
CID 112646507
5-Amino-1,3-dihydroxymethylbenzene
CID 13401257

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,4,6-triiodophenyl)methanol?
The IUPAC name of (3-amino-2,4,6-triiodophenyl)methanol (CID 15092) is (3-amino-2,4,6-triiodophenyl)methanol.
What is the SMILES notation for (3-amino-2,4,6-triiodophenyl)methanol?
The canonical SMILES for (3-amino-2,4,6-triiodophenyl)methanol is Nc1c(I)cc(I)c(CO)c1I.
What is the InChIKey of (3-amino-2,4,6-triiodophenyl)methanol?
The InChIKey is VZQXILUNJAYEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6I3NO/c8-4-1-5(9)7(11)6(10)3(4)2-12/h1,12H,2,11H2.
What are the key properties of (3-amino-2,4,6-triiodophenyl)methanol?
(3-amino-2,4,6-triiodophenyl)methanol has a molecular weight of 500.84 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,4,6-triiodophenyl)methanol is sourced from PubChem (CID 15092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).