dimethyl 2-amino-5-iodobenzene-1,4-dicarboxylate

C10H10INO4 — CID 156788042

IUPACdimethyl 2-amino-5-iodobenzene-1,4-dicarboxylate
SMILESCOC(=O)c1cc(I)c(C(=O)OC)cc1N
InChIInChI=1S/C10H10INO4/c1-15-9(13)5-4-8(12)6(3-7(5)11)10(14)16-2/h3-4H,12H2,1-2H3
InChIKeyHLUUMDTVCDAZDY-UHFFFAOYSA-N
MW335.10 g/mol
LogP1.45
Rot. Bonds2

About dimethyl 2-amino-5-iodobenzene-1,4-dicarboxylate

dimethyl 2-amino-5-iodobenzene-1,4-dicarboxylate (PubChem CID 156788042) has the molecular formula C10H10INO4 and a molecular weight of 335.10 g/mol. Its IUPAC name is dimethyl 2-amino-5-iodobenzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-amino-5-iodobenzene-1,4-dicarboxylate
PubChem CID156788042
Molecular FormulaC10H10INO4
Molecular Weight335.10 g/mol
Exact Mass334.97
IUPAC Namedimethyl 2-amino-5-iodobenzene-1,4-dicarboxylate
SMILESCOC(=O)c1cc(I)c(C(=O)OC)cc1N
InChIInChI=1S/C10H10INO4/c1-15-9(13)5-4-8(12)6(3-7(5)11)10(14)16-2/h3-4H,12H2,1-2H3
InChIKeyHLUUMDTVCDAZDY-UHFFFAOYSA-N
XLogP1.45
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.10
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-amino-4-(difluoromethyl)-5-iodobenzoate
CID 59164445
dimethyl 4,5-diaminobenzene-1,2-dicarboxylate
CID 14574480
methyl 2,5-diamino-4-methoxybenzoate
CID 171030789
methyl 4-amino-2-chloro-5-iodobenzoate
CID 11839203
sodium;methyl 2-amino-4-iodobenzoate;hydroxide
CID 172735794
azane;methyl 2-amino-5-iodobenzoate
CID 122622802
methyl 2,4-diamino-5-fluorobenzoate
CID 171030778
dimethyl 4-amino-6-chlorobenzene-1,3-dicarboxylate
CID 10824163
methyl 4,5-diiodo-2-methoxybenzoate
CID 130877100
methyl 2-amino-4,5-di(propan-2-yloxy)benzoate
CID 82553168
ethane;methyl 3-iodonaphthalene-2-carboxylate
CID 91057809
methyl 3-amino-5-iodo-2-methylbenzoate
CID 131332770

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-amino-5-iodobenzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-amino-5-iodobenzene-1,4-dicarboxylate (CID 156788042) is dimethyl 2-amino-5-iodobenzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-amino-5-iodobenzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-amino-5-iodobenzene-1,4-dicarboxylate is COC(=O)c1cc(I)c(C(=O)OC)cc1N.
What is the InChIKey of dimethyl 2-amino-5-iodobenzene-1,4-dicarboxylate?
The InChIKey is HLUUMDTVCDAZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INO4/c1-15-9(13)5-4-8(12)6(3-7(5)11)10(14)16-2/h3-4H,12H2,1-2H3.
What are the key properties of dimethyl 2-amino-5-iodobenzene-1,4-dicarboxylate?
dimethyl 2-amino-5-iodobenzene-1,4-dicarboxylate has a molecular weight of 335.10 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-amino-5-iodobenzene-1,4-dicarboxylate is sourced from PubChem (CID 156788042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).