1-(3-amino-6-hydroxy-2-iodophenyl)ethanone

C8H8INO2 — CID 131324658

IUPAC1-(3-amino-6-hydroxy-2-iodophenyl)ethanone
SMILESCC(=O)c1c(O)ccc(N)c1I
InChIInChI=1S/C8H8INO2/c1-4(11)7-6(12)3-2-5(10)8(7)9/h2-3,12H,10H2,1H3
InChIKeyAYPIZWHLPBBOGM-UHFFFAOYSA-N
MW277.06 g/mol
LogP1.78
Rot. Bonds1

About 1-(3-amino-6-hydroxy-2-iodophenyl)ethanone

1-(3-amino-6-hydroxy-2-iodophenyl)ethanone (PubChem CID 131324658) has the molecular formula C8H8INO2 and a molecular weight of 277.06 g/mol. Its IUPAC name is 1-(3-amino-6-hydroxy-2-iodophenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-6-hydroxy-2-iodophenyl)ethanone
PubChem CID131324658
Molecular FormulaC8H8INO2
Molecular Weight277.06 g/mol
Exact Mass276.96
IUPAC Name1-(3-amino-6-hydroxy-2-iodophenyl)ethanone
SMILESCC(=O)c1c(O)ccc(N)c1I
InChIInChI=1S/C8H8INO2/c1-4(11)7-6(12)3-2-5(10)8(7)9/h2-3,12H,10H2,1H3
InChIKeyAYPIZWHLPBBOGM-UHFFFAOYSA-N
XLogP1.78
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.06
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-amino-6-(difluoromethoxy)-2-iodophenyl]ethanone
CID 131281136
1-(2-amino-6-hydroxy-4-iodophenyl)ethanone
CID 131334776
1-(2-bromo-6-hydroxy-3-iodophenyl)ethanone
CID 131384005
2,3-diacetyl-4-hydroxybenzamide
CID 174459888
1-[3-hydroxy-2-iodo-6-(trifluoromethyl)phenyl]ethanone
CID 171025509
1-(3-amino-6-fluoro-2-hydroxyphenyl)ethanone
CID 131372695
1-(2-bromo-3-hydroxy-6-iodophenyl)ethanone
CID 131331326
1-(6-amino-3-fluoro-2-hydroxyphenyl)ethanone
CID 171017806
3-amino-6-fluoro-2-iodobenzoic acid
CID 131563982
1-(3,6-dihydroxy-2-propan-2-ylphenyl)ethanone
CID 101273343
1-(3-acetyl-4-amino-2-methylsulfanylphenyl)ethanone
CID 67659453
1-(6-amino-2,4-difluoro-3-iodophenyl)ethanone
CID 164916898

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-6-hydroxy-2-iodophenyl)ethanone?
The IUPAC name of 1-(3-amino-6-hydroxy-2-iodophenyl)ethanone (CID 131324658) is 1-(3-amino-6-hydroxy-2-iodophenyl)ethanone.
What is the SMILES notation for 1-(3-amino-6-hydroxy-2-iodophenyl)ethanone?
The canonical SMILES for 1-(3-amino-6-hydroxy-2-iodophenyl)ethanone is CC(=O)c1c(O)ccc(N)c1I.
What is the InChIKey of 1-(3-amino-6-hydroxy-2-iodophenyl)ethanone?
The InChIKey is AYPIZWHLPBBOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8INO2/c1-4(11)7-6(12)3-2-5(10)8(7)9/h2-3,12H,10H2,1H3.
What are the key properties of 1-(3-amino-6-hydroxy-2-iodophenyl)ethanone?
1-(3-amino-6-hydroxy-2-iodophenyl)ethanone has a molecular weight of 277.06 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-6-hydroxy-2-iodophenyl)ethanone is sourced from PubChem (CID 131324658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).