3-(5-iodo-2-pyridinyl)-1,1-dimethylurea

C8H10IN3O — CID 79153850

IUPAC3-(5-iodo-2-pyridinyl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccc(I)cn1
InChIInChI=1S/C8H10IN3O/c1-12(2)8(13)11-7-4-3-6(9)5-10-7/h3-5H,1-2H3,(H,10,11,13)
InChIKeyWOMMRLJWGHULHF-UHFFFAOYSA-N
MW291.09 g/mol
LogP1.78
Rot. Bonds1

About 3-(5-iodo-2-pyridinyl)-1,1-dimethylurea

3-(5-iodo-2-pyridinyl)-1,1-dimethylurea (PubChem CID 79153850) has the molecular formula C8H10IN3O and a molecular weight of 291.09 g/mol. Its IUPAC name is 3-(5-iodo-2-pyridinyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(5-iodo-2-pyridinyl)-1,1-dimethylurea
PubChem CID79153850
Molecular FormulaC8H10IN3O
Molecular Weight291.09 g/mol
Exact Mass290.99
IUPAC Name3-(5-iodo-2-pyridinyl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccc(I)cn1
InChIInChI=1S/C8H10IN3O/c1-12(2)8(13)11-7-4-3-6(9)5-10-7/h3-5H,1-2H3,(H,10,11,13)
InChIKeyWOMMRLJWGHULHF-UHFFFAOYSA-N
XLogP1.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.09
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-iodo-2-pyridinyl)-1,1-dimethylurea?
The IUPAC name of 3-(5-iodo-2-pyridinyl)-1,1-dimethylurea (CID 79153850) is 3-(5-iodo-2-pyridinyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(5-iodo-2-pyridinyl)-1,1-dimethylurea?
The canonical SMILES for 3-(5-iodo-2-pyridinyl)-1,1-dimethylurea is CN(C)C(=O)Nc1ccc(I)cn1.
What is the InChIKey of 3-(5-iodo-2-pyridinyl)-1,1-dimethylurea?
The InChIKey is WOMMRLJWGHULHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN3O/c1-12(2)8(13)11-7-4-3-6(9)5-10-7/h3-5H,1-2H3,(H,10,11,13).
What are the key properties of 3-(5-iodo-2-pyridinyl)-1,1-dimethylurea?
3-(5-iodo-2-pyridinyl)-1,1-dimethylurea has a molecular weight of 291.09 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-iodo-2-pyridinyl)-1,1-dimethylurea is sourced from PubChem (CID 79153850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).