iodo 2-[(5-bromo-2-pyridinyl)amino]-2-oxoacetate

C7H4BrIN2O3 — CID 142914833

IUPACiodo 2-[(5-bromo-2-pyridinyl)amino]-2-oxoacetate
SMILESO=C(Nc1ccc(Br)cn1)C(=O)OI
InChIInChI=1S/C7H4BrIN2O3/c8-4-1-2-5(10-3-4)11-6(12)7(13)14-9/h1-3H,(H,10,11,12)
InChIKeyMGOGOKHHDTXNBD-UHFFFAOYSA-N
MW370.93 g/mol
LogP1.68
Rot. Bonds1

About iodo 2-[(5-bromo-2-pyridinyl)amino]-2-oxoacetate

iodo 2-[(5-bromo-2-pyridinyl)amino]-2-oxoacetate (PubChem CID 142914833) has the molecular formula C7H4BrIN2O3 and a molecular weight of 370.93 g/mol. Its IUPAC name is iodo 2-[(5-bromo-2-pyridinyl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameiodo 2-[(5-bromo-2-pyridinyl)amino]-2-oxoacetate
PubChem CID142914833
Molecular FormulaC7H4BrIN2O3
Molecular Weight370.93 g/mol
Exact Mass369.85
IUPAC Nameiodo 2-[(5-bromo-2-pyridinyl)amino]-2-oxoacetate
SMILESO=C(Nc1ccc(Br)cn1)C(=O)OI
InChIInChI=1S/C7H4BrIN2O3/c8-4-1-2-5(10-3-4)11-6(12)7(13)14-9/h1-3H,(H,10,11,12)
InChIKeyMGOGOKHHDTXNBD-UHFFFAOYSA-N
XLogP1.68
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.93
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze iodo 2-[(5-bromo-2-pyridinyl)amino]-2-oxoacetate 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 iodo 2-[(5-bromo-2-pyridinyl)amino]-2-oxoacetate?
The IUPAC name of iodo 2-[(5-bromo-2-pyridinyl)amino]-2-oxoacetate (CID 142914833) is iodo 2-[(5-bromo-2-pyridinyl)amino]-2-oxoacetate.
What is the SMILES notation for iodo 2-[(5-bromo-2-pyridinyl)amino]-2-oxoacetate?
The canonical SMILES for iodo 2-[(5-bromo-2-pyridinyl)amino]-2-oxoacetate is O=C(Nc1ccc(Br)cn1)C(=O)OI.
What is the InChIKey of iodo 2-[(5-bromo-2-pyridinyl)amino]-2-oxoacetate?
The InChIKey is MGOGOKHHDTXNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrIN2O3/c8-4-1-2-5(10-3-4)11-6(12)7(13)14-9/h1-3H,(H,10,11,12).
What are the key properties of iodo 2-[(5-bromo-2-pyridinyl)amino]-2-oxoacetate?
iodo 2-[(5-bromo-2-pyridinyl)amino]-2-oxoacetate has a molecular weight of 370.93 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iodo 2-[(5-bromo-2-pyridinyl)amino]-2-oxoacetate is sourced from PubChem (CID 142914833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).