methyl 2-(4-amino-3-iodophenyl)acetate

C9H10INO2 — CID 46941390

IUPACmethyl 2-(4-amino-3-iodophenyl)acetate
SMILESCOC(=O)Cc1ccc(N)c(I)c1
InChIInChI=1S/C9H10INO2/c1-13-9(12)5-6-2-3-8(11)7(10)4-6/h2-4H,5,11H2,1H3
InChIKeyMXBSIPDRHYJKQR-UHFFFAOYSA-N
MW291.09 g/mol
LogP1.59
Rot. Bonds2

About methyl 2-(4-amino-3-iodophenyl)acetate

methyl 2-(4-amino-3-iodophenyl)acetate (PubChem CID 46941390) has the molecular formula C9H10INO2 and a molecular weight of 291.09 g/mol. Its IUPAC name is methyl 2-(4-amino-3-iodophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-amino-3-iodophenyl)acetate
PubChem CID46941390
Molecular FormulaC9H10INO2
Molecular Weight291.09 g/mol
Exact Mass290.98
IUPAC Namemethyl 2-(4-amino-3-iodophenyl)acetate
SMILESCOC(=O)Cc1ccc(N)c(I)c1
InChIInChI=1S/C9H10INO2/c1-13-9(12)5-6-2-3-8(11)7(10)4-6/h2-4H,5,11H2,1H3
InChIKeyMXBSIPDRHYJKQR-UHFFFAOYSA-N
XLogP1.59
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.09
LogP ≤ 51.59
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

methyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356382
methyl 2-(4-amino-3-ethoxyphenyl)acetate
CID 146285643
methyl 2-(4-amino-3-nitrophenyl)acetate
CID 54002717
methyl 2-(4-aminophenyl)acetate;hydrochloride
CID 12918864
(4-amino-3-iodophenyl)methanol
CID 22724559
ethyl 2-(3-iodo-4-methylphenyl)acetate
CID 134638159
ethyl 2-(4-amino-3-iodophenyl)acetate;ethyl 2-[4-amino-3-[4-(trifluoromethyl)phenyl]phenyl]acetate
CID 69338991
methyl 2-[3-iodo-4-[4-(methoxymethoxy)phenoxy]phenyl]acetate
CID 11568117
methyl 2-(2-amino-5-hydroxyphenyl)acetate
CID 84657776
3-(4-amino-3-iodophenyl)propanoic acid
CID 11369803
methyl 2-[7-(2-methoxy-2-oxoethyl)thianthren-2-yl]acetate
CID 19906740
[4-(2-methoxy-2-oxoethyl)-2-methylphenyl]iodanium
CID 142822061

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-amino-3-iodophenyl)acetate?
The IUPAC name of methyl 2-(4-amino-3-iodophenyl)acetate (CID 46941390) is methyl 2-(4-amino-3-iodophenyl)acetate.
What is the SMILES notation for methyl 2-(4-amino-3-iodophenyl)acetate?
The canonical SMILES for methyl 2-(4-amino-3-iodophenyl)acetate is COC(=O)Cc1ccc(N)c(I)c1.
What is the InChIKey of methyl 2-(4-amino-3-iodophenyl)acetate?
The InChIKey is MXBSIPDRHYJKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO2/c1-13-9(12)5-6-2-3-8(11)7(10)4-6/h2-4H,5,11H2,1H3.
What are the key properties of methyl 2-(4-amino-3-iodophenyl)acetate?
methyl 2-(4-amino-3-iodophenyl)acetate has a molecular weight of 291.09 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-amino-3-iodophenyl)acetate is sourced from PubChem (CID 46941390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).