ethyl 2-(5-amino-2-iodophenyl)acetate

C10H12INO2 — CID 134638544

IUPACethyl 2-(5-amino-2-iodophenyl)acetate
SMILESCCOC(=O)Cc1cc(N)ccc1I
InChIInChI=1S/C10H12INO2/c1-2-14-10(13)6-7-5-8(12)3-4-9(7)11/h3-5H,2,6,12H2,1H3
InChIKeySJERLBUUDDDNAL-UHFFFAOYSA-N
MW305.12 g/mol
LogP1.98
Rot. Bonds3

About ethyl 2-(5-amino-2-iodophenyl)acetate

ethyl 2-(5-amino-2-iodophenyl)acetate (PubChem CID 134638544) has the molecular formula C10H12INO2 and a molecular weight of 305.12 g/mol. Its IUPAC name is ethyl 2-(5-amino-2-iodophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-amino-2-iodophenyl)acetate
PubChem CID134638544
Molecular FormulaC10H12INO2
Molecular Weight305.12 g/mol
Exact Mass304.99
IUPAC Nameethyl 2-(5-amino-2-iodophenyl)acetate
SMILESCCOC(=O)Cc1cc(N)ccc1I
InChIInChI=1S/C10H12INO2/c1-2-14-10(13)6-7-5-8(12)3-4-9(7)11/h3-5H,2,6,12H2,1H3
InChIKeySJERLBUUDDDNAL-UHFFFAOYSA-N
XLogP1.98
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(4-amino-2-bromophenyl)acetate
CID 170997064
ethyl 2-[5-amino-2-(trifluoromethoxy)phenyl]acetate
CID 134633504
ethyl 2-(4-bromo-2-iodo-5-methylphenyl)acetate
CID 171563647
ethyl 3-(5-amino-2-hydroxyphenyl)propanoate
CID 3847295
ethyl 2-(3-iodo-4-methylphenyl)acetate
CID 134638159
ethyl 2-(2-bromo-4-iodophenyl)acetate
CID 131871493
ethyl 2-(2-cyano-3-hydroxy-4-iodophenyl)acetate
CID 134655360
ethyl 2-[3-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 125129375
ethyl 2-(5-amino-2-methyl-1-benzofuran-3-yl)acetate
CID 89265428
ethyl 2-(2-amino-5-hydroxyphenyl)acetate
CID 118437547
ethyl 2-(5-amino-3-bromo-2-fluorophenyl)acetate
CID 171020094
ethyl 2-(2-ethylphenyl)acetate
CID 45489731

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-amino-2-iodophenyl)acetate?
The IUPAC name of ethyl 2-(5-amino-2-iodophenyl)acetate (CID 134638544) is ethyl 2-(5-amino-2-iodophenyl)acetate.
What is the SMILES notation for ethyl 2-(5-amino-2-iodophenyl)acetate?
The canonical SMILES for ethyl 2-(5-amino-2-iodophenyl)acetate is CCOC(=O)Cc1cc(N)ccc1I.
What is the InChIKey of ethyl 2-(5-amino-2-iodophenyl)acetate?
The InChIKey is SJERLBUUDDDNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO2/c1-2-14-10(13)6-7-5-8(12)3-4-9(7)11/h3-5H,2,6,12H2,1H3.
What are the key properties of ethyl 2-(5-amino-2-iodophenyl)acetate?
ethyl 2-(5-amino-2-iodophenyl)acetate has a molecular weight of 305.12 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-amino-2-iodophenyl)acetate is sourced from PubChem (CID 134638544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).