ethyl 2-amino-6-iodo-3-methylbenzoate

C10H12INO2 — CID 102741909

IUPACethyl 2-amino-6-iodo-3-methylbenzoate
SMILESCCOC(=O)c1c(I)ccc(C)c1N
InChIInChI=1S/C10H12INO2/c1-3-14-10(13)8-7(11)5-4-6(2)9(8)12/h4-5H,3,12H2,1-2H3
InChIKeyFQPPGJRQZRBXJZ-UHFFFAOYSA-N
MW305.12 g/mol
LogP2.36
Rot. Bonds2

About ethyl 2-amino-6-iodo-3-methylbenzoate

ethyl 2-amino-6-iodo-3-methylbenzoate (PubChem CID 102741909) has the molecular formula C10H12INO2 and a molecular weight of 305.12 g/mol. Its IUPAC name is ethyl 2-amino-6-iodo-3-methylbenzoate.

Molecular Properties

Compound Nameethyl 2-amino-6-iodo-3-methylbenzoate
PubChem CID102741909
Molecular FormulaC10H12INO2
Molecular Weight305.12 g/mol
Exact Mass304.99
IUPAC Nameethyl 2-amino-6-iodo-3-methylbenzoate
SMILESCCOC(=O)c1c(I)ccc(C)c1N
InChIInChI=1S/C10H12INO2/c1-3-14-10(13)8-7(11)5-4-6(2)9(8)12/h4-5H,3,12H2,1-2H3
InChIKeyFQPPGJRQZRBXJZ-UHFFFAOYSA-N
XLogP2.36
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 52.36
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-amino-3-methyl-6-(trifluoromethyl)benzoate
CID 79242596
ethyl 2,3,6-trimethylbenzoate
CID 13126297
ethyl 2,6-dimethylbenzoate
CID 520807
ethyl 6-amino-2-bromo-3-methylbenzoate
CID 131699648
ethyl 2-iodo-6-propanoylbenzoate
CID 134641127
ethyl 4-fluoro-2,6-diiodobenzoate
CID 131074372
ethyl 2-amino-3,6-diethylbenzoate;hydrochloride
CID 79071345
diethyl 3,4-dimethylbenzene-1,2-dicarboxylate
CID 66647906
ethyl 6-cyano-2,3-diiodobenzoate
CID 134644151
ethyl 6-amino-2-iodo-3,4-dimethylbenzoate
CID 59883392
ethyl 4-amino-2,3,5,6-tetramethylbenzoate
CID 154639052
propyl 2-amino-3-methyl-6-methylsulfanylbenzoate
CID 103996560

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-6-iodo-3-methylbenzoate?
The IUPAC name of ethyl 2-amino-6-iodo-3-methylbenzoate (CID 102741909) is ethyl 2-amino-6-iodo-3-methylbenzoate.
What is the SMILES notation for ethyl 2-amino-6-iodo-3-methylbenzoate?
The canonical SMILES for ethyl 2-amino-6-iodo-3-methylbenzoate is CCOC(=O)c1c(I)ccc(C)c1N.
What is the InChIKey of ethyl 2-amino-6-iodo-3-methylbenzoate?
The InChIKey is FQPPGJRQZRBXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO2/c1-3-14-10(13)8-7(11)5-4-6(2)9(8)12/h4-5H,3,12H2,1-2H3.
What are the key properties of ethyl 2-amino-6-iodo-3-methylbenzoate?
ethyl 2-amino-6-iodo-3-methylbenzoate has a molecular weight of 305.12 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-6-iodo-3-methylbenzoate is sourced from PubChem (CID 102741909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).