ethyl (2R)-5-iodo-2H-indole-2-carboxylate

C11H10INO2 — CID 126421966

IUPACethyl (2R)-5-iodo-2H-indole-2-carboxylate
SMILESCCOC(=O)[C@H]1C=c2cc(I)ccc2=N1
InChIInChI=1S/C11H10INO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,10H,2H2,1H3/t10-/m1/s1
InChIKeyVXZIJFKVNGBAMQ-SNVBAGLBSA-N
MW315.11 g/mol
LogP0.64
Rot. Bonds2

About ethyl (2R)-5-iodo-2H-indole-2-carboxylate

ethyl (2R)-5-iodo-2H-indole-2-carboxylate (PubChem CID 126421966) has the molecular formula C11H10INO2 and a molecular weight of 315.11 g/mol. Its IUPAC name is ethyl (2R)-5-iodo-2H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-5-iodo-2H-indole-2-carboxylate
PubChem CID126421966
Molecular FormulaC11H10INO2
Molecular Weight315.11 g/mol
Exact Mass314.98
IUPAC Nameethyl (2R)-5-iodo-2H-indole-2-carboxylate
SMILESCCOC(=O)[C@H]1C=c2cc(I)ccc2=N1
InChIInChI=1S/C11H10INO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,10H,2H2,1H3/t10-/m1/s1
InChIKeyVXZIJFKVNGBAMQ-SNVBAGLBSA-N
XLogP0.64
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.11
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (4R,5R)-2-(2-hydroxy-5-iodophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 162671308
ethyl 5-iodo-3-oxo-1-benzothiophene-2-carboxylate
CID 170924027
diethyl 2-(3-iodophenyl)propanedioate
CID 135193492
ethyl 6-iodonaphthalene-2-carboxylate
CID 58151998
ethyl 4-methyl-3H-pyrrole-3-carboxylate
CID 45090136
ethyl (2R)-2-(4-iodophenyl)propanoate
CID 129387500
ethyl 2-(2-bromo-4-iodophenyl)acetate
CID 131871493
ethyl 7-iodo-2,5-dioxo-3,4-dihydro-1H-1-benzazepine-4-carboxylate
CID 66934628
ethyl 8-iodo-2,5-dioxo-3,4-dihydro-1H-1-benzazepine-4-carboxylate
CID 66934705
ethyl 5-iodo-2-sulfamoylbenzoate
CID 19376834
ethyl 2-(4-iodo-2-methylphenoxy)acetate
CID 57361058
1-(2-ethoxy-4-iodophenyl)ethanone
CID 170996658

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-5-iodo-2H-indole-2-carboxylate?
The IUPAC name of ethyl (2R)-5-iodo-2H-indole-2-carboxylate (CID 126421966) is ethyl (2R)-5-iodo-2H-indole-2-carboxylate.
What is the SMILES notation for ethyl (2R)-5-iodo-2H-indole-2-carboxylate?
The canonical SMILES for ethyl (2R)-5-iodo-2H-indole-2-carboxylate is CCOC(=O)[C@H]1C=c2cc(I)ccc2=N1.
What is the InChIKey of ethyl (2R)-5-iodo-2H-indole-2-carboxylate?
The InChIKey is VXZIJFKVNGBAMQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H10INO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,10H,2H2,1H3/t10-/m1/s1.
What are the key properties of ethyl (2R)-5-iodo-2H-indole-2-carboxylate?
ethyl (2R)-5-iodo-2H-indole-2-carboxylate has a molecular weight of 315.11 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-5-iodo-2H-indole-2-carboxylate is sourced from PubChem (CID 126421966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).