1-(3-amino-4-iodo-2-methylphenyl)ethanone

C9H10INO — CID 171027183

IUPAC1-(3-amino-4-iodo-2-methylphenyl)ethanone
SMILESCC(=O)c1ccc(I)c(N)c1C
InChIInChI=1S/C9H10INO/c1-5-7(6(2)12)3-4-8(10)9(5)11/h3-4H,11H2,1-2H3
InChIKeyGFWKZIJKCAGBFL-UHFFFAOYSA-N
MW275.09 g/mol
LogP2.38
Rot. Bonds1

About 1-(3-amino-4-iodo-2-methylphenyl)ethanone

1-(3-amino-4-iodo-2-methylphenyl)ethanone (PubChem CID 171027183) has the molecular formula C9H10INO and a molecular weight of 275.09 g/mol. Its IUPAC name is 1-(3-amino-4-iodo-2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-4-iodo-2-methylphenyl)ethanone
PubChem CID171027183
Molecular FormulaC9H10INO
Molecular Weight275.09 g/mol
Exact Mass274.98
IUPAC Name1-(3-amino-4-iodo-2-methylphenyl)ethanone
SMILESCC(=O)c1ccc(I)c(N)c1C
InChIInChI=1S/C9H10INO/c1-5-7(6(2)12)3-4-8(10)9(5)11/h3-4H,11H2,1-2H3
InChIKeyGFWKZIJKCAGBFL-UHFFFAOYSA-N
XLogP2.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 52.38
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-iodo-2-methylphenyl)ethanone?
The IUPAC name of 1-(3-amino-4-iodo-2-methylphenyl)ethanone (CID 171027183) is 1-(3-amino-4-iodo-2-methylphenyl)ethanone.
What is the SMILES notation for 1-(3-amino-4-iodo-2-methylphenyl)ethanone?
The canonical SMILES for 1-(3-amino-4-iodo-2-methylphenyl)ethanone is CC(=O)c1ccc(I)c(N)c1C.
What is the InChIKey of 1-(3-amino-4-iodo-2-methylphenyl)ethanone?
The InChIKey is GFWKZIJKCAGBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO/c1-5-7(6(2)12)3-4-8(10)9(5)11/h3-4H,11H2,1-2H3.
What are the key properties of 1-(3-amino-4-iodo-2-methylphenyl)ethanone?
1-(3-amino-4-iodo-2-methylphenyl)ethanone has a molecular weight of 275.09 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-iodo-2-methylphenyl)ethanone is sourced from PubChem (CID 171027183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).