2-[(6-iodo-3-pyridinyl)oxy]ethyl carbamate

C8H9IN2O3 — CID 175114940

IUPAC2-[(6-iodo-3-pyridinyl)oxy]ethyl carbamate
SMILESNC(=O)OCCOc1ccc(I)nc1
InChIInChI=1S/C8H9IN2O3/c9-7-2-1-6(5-11-7)13-3-4-14-8(10)12/h1-2,5H,3-4H2,(H2,10,12)
InChIKeyMOUWHLXQMAHXNO-UHFFFAOYSA-N
MW308.07 g/mol
LogP1.16
Rot. Bonds4

About 2-[(6-iodo-3-pyridinyl)oxy]ethyl carbamate

2-[(6-iodo-3-pyridinyl)oxy]ethyl carbamate (PubChem CID 175114940) has the molecular formula C8H9IN2O3 and a molecular weight of 308.07 g/mol. Its IUPAC name is 2-[(6-iodo-3-pyridinyl)oxy]ethyl carbamate.

Molecular Properties

Compound Name2-[(6-iodo-3-pyridinyl)oxy]ethyl carbamate
PubChem CID175114940
Molecular FormulaC8H9IN2O3
Molecular Weight308.07 g/mol
Exact Mass307.97
IUPAC Name2-[(6-iodo-3-pyridinyl)oxy]ethyl carbamate
SMILESNC(=O)OCCOc1ccc(I)nc1
InChIInChI=1S/C8H9IN2O3/c9-7-2-1-6(5-11-7)13-3-4-14-8(10)12/h1-2,5H,3-4H2,(H2,10,12)
InChIKeyMOUWHLXQMAHXNO-UHFFFAOYSA-N
XLogP1.16
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.07
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-iodo-3-pyridinyl)oxy]ethyl carbamate?
The IUPAC name of 2-[(6-iodo-3-pyridinyl)oxy]ethyl carbamate (CID 175114940) is 2-[(6-iodo-3-pyridinyl)oxy]ethyl carbamate.
What is the SMILES notation for 2-[(6-iodo-3-pyridinyl)oxy]ethyl carbamate?
The canonical SMILES for 2-[(6-iodo-3-pyridinyl)oxy]ethyl carbamate is NC(=O)OCCOc1ccc(I)nc1.
What is the InChIKey of 2-[(6-iodo-3-pyridinyl)oxy]ethyl carbamate?
The InChIKey is MOUWHLXQMAHXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN2O3/c9-7-2-1-6(5-11-7)13-3-4-14-8(10)12/h1-2,5H,3-4H2,(H2,10,12).
What are the key properties of 2-[(6-iodo-3-pyridinyl)oxy]ethyl carbamate?
2-[(6-iodo-3-pyridinyl)oxy]ethyl carbamate has a molecular weight of 308.07 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-iodo-3-pyridinyl)oxy]ethyl carbamate is sourced from PubChem (CID 175114940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).