iodic acid;1-(2-iodoethyl)pyrrolidine

C6H13I2NO3 — CID 160511100

IUPACiodic acid;1-(2-iodoethyl)pyrrolidine
SMILESICCN1CCCC1.[O-][I+2]([O-])O
InChIInChI=1S/C6H12IN.HIO3/c7-3-6-8-4-1-2-5-8;2-1(3)4/h1-6H2;2H
InChIKeyRTNDYIFNSBVXID-UHFFFAOYSA-N
MW400.98 g/mol
LogP-4.41
Rot. Bonds2

About iodic acid;1-(2-iodoethyl)pyrrolidine

iodic acid;1-(2-iodoethyl)pyrrolidine (PubChem CID 160511100) has the molecular formula C6H13I2NO3 and a molecular weight of 400.98 g/mol. Its IUPAC name is iodic acid;1-(2-iodoethyl)pyrrolidine.

Molecular Properties

Compound Nameiodic acid;1-(2-iodoethyl)pyrrolidine
PubChem CID160511100
Molecular FormulaC6H13I2NO3
Molecular Weight400.98 g/mol
Exact Mass400.90
IUPAC Nameiodic acid;1-(2-iodoethyl)pyrrolidine
SMILESICCN1CCCC1.[O-][I+2]([O-])O
InChIInChI=1S/C6H12IN.HIO3/c7-3-6-8-4-1-2-5-8;2-1(3)4/h1-6H2;2H
InChIKeyRTNDYIFNSBVXID-UHFFFAOYSA-N
XLogP-4.41
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.98
LogP ≤ 5-4.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iodic acid;1-(2-iodoethyl)pyrrolidine?
The IUPAC name of iodic acid;1-(2-iodoethyl)pyrrolidine (CID 160511100) is iodic acid;1-(2-iodoethyl)pyrrolidine.
What is the SMILES notation for iodic acid;1-(2-iodoethyl)pyrrolidine?
The canonical SMILES for iodic acid;1-(2-iodoethyl)pyrrolidine is ICCN1CCCC1.[O-][I+2]([O-])O.
What is the InChIKey of iodic acid;1-(2-iodoethyl)pyrrolidine?
The InChIKey is RTNDYIFNSBVXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12IN.HIO3/c7-3-6-8-4-1-2-5-8;2-1(3)4/h1-6H2;2H.
What are the key properties of iodic acid;1-(2-iodoethyl)pyrrolidine?
iodic acid;1-(2-iodoethyl)pyrrolidine has a molecular weight of 400.98 g/mol, XLogP of -4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iodic acid;1-(2-iodoethyl)pyrrolidine is sourced from PubChem (CID 160511100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).