2-[(2-chloro-6-iodo-3-pyridinyl)oxy]-N,N-diethylethanamine

C11H16ClIN2O — CID 154734283

IUPAC2-[(2-chloro-6-iodo-3-pyridinyl)oxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc(I)nc1Cl
InChIInChI=1S/C11H16ClIN2O/c1-3-15(4-2)7-8-16-9-5-6-10(13)14-11(9)12/h5-6H,3-4,7-8H2,1-2H3
InChIKeyBTWSRQYPUXWYPO-UHFFFAOYSA-N
MW354.62 g/mol
LogP3.06
Rot. Bonds6

About 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]-N,N-diethylethanamine

2-[(2-chloro-6-iodo-3-pyridinyl)oxy]-N,N-diethylethanamine (PubChem CID 154734283) has the molecular formula C11H16ClIN2O and a molecular weight of 354.62 g/mol. Its IUPAC name is 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[(2-chloro-6-iodo-3-pyridinyl)oxy]-N,N-diethylethanamine
PubChem CID154734283
Molecular FormulaC11H16ClIN2O
Molecular Weight354.62 g/mol
Exact Mass354.00
IUPAC Name2-[(2-chloro-6-iodo-3-pyridinyl)oxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc(I)nc1Cl
InChIInChI=1S/C11H16ClIN2O/c1-3-15(4-2)7-8-16-9-5-6-10(13)14-11(9)12/h5-6H,3-4,7-8H2,1-2H3
InChIKeyBTWSRQYPUXWYPO-UHFFFAOYSA-N
XLogP3.06
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.62
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]-N,N-diethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]-N,N-diethylethanamine?
The IUPAC name of 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]-N,N-diethylethanamine (CID 154734283) is 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]-N,N-diethylethanamine is CCN(CC)CCOc1ccc(I)nc1Cl.
What is the InChIKey of 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]-N,N-diethylethanamine?
The InChIKey is BTWSRQYPUXWYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClIN2O/c1-3-15(4-2)7-8-16-9-5-6-10(13)14-11(9)12/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]-N,N-diethylethanamine?
2-[(2-chloro-6-iodo-3-pyridinyl)oxy]-N,N-diethylethanamine has a molecular weight of 354.62 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]-N,N-diethylethanamine is sourced from PubChem (CID 154734283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).