1-(2-iodophenyl)-3-pyridin-4-ylurea

C12H10IN3O — CID 3370542

IUPAC1-(2-iodophenyl)-3-pyridin-4-ylurea
SMILESO=C(Nc1ccncc1)Nc1ccccc1I
InChIInChI=1S/C12H10IN3O/c13-10-3-1-2-4-11(10)16-12(17)15-9-5-7-14-8-6-9/h1-8H,(H2,14,15,16,17)
InChIKeyTUKUDRPADVYSKC-UHFFFAOYSA-N
MW339.14 g/mol
LogP3.33
Rot. Bonds2

About 1-(2-iodophenyl)-3-pyridin-4-ylurea

1-(2-iodophenyl)-3-pyridin-4-ylurea (PubChem CID 3370542) has the molecular formula C12H10IN3O and a molecular weight of 339.14 g/mol. Its IUPAC name is 1-(2-iodophenyl)-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-(2-iodophenyl)-3-pyridin-4-ylurea
PubChem CID3370542
Molecular FormulaC12H10IN3O
Molecular Weight339.14 g/mol
Exact Mass338.99
IUPAC Name1-(2-iodophenyl)-3-pyridin-4-ylurea
SMILESO=C(Nc1ccncc1)Nc1ccccc1I
InChIInChI=1S/C12H10IN3O/c13-10-3-1-2-4-11(10)16-12(17)15-9-5-7-14-8-6-9/h1-8H,(H2,14,15,16,17)
InChIKeyTUKUDRPADVYSKC-UHFFFAOYSA-N
XLogP3.33
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.14
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-iodophenyl)-3-pyridin-4-ylurea with MolForge

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

Launch Full Analysis

Related Compounds

1-(3,5-dimethylphenyl)-3-(2-iodophenyl)urea
CID 108869034
2-[4-[(2-iodophenyl)carbamoylamino]phenyl]acetic acid
CID 61185205
1-(2-iodophenyl)-3-(4-sulfamoylphenyl)urea
CID 68630610
2-hydroxy-4-[(2-iodophenyl)carbamoylamino]benzoic acid
CID 61186270
methyl 3-[(2-iodophenyl)carbamoylamino]benzoate
CID 108869084
1-(2-cyanophenyl)-3-(2-iodophenyl)urea
CID 108868891
1-(5-bromopyrimidin-2-yl)-3-(2-iodophenyl)urea
CID 108869101
1-(4-bromophenyl)-3-pyridin-4-ylurea
CID 677050
1-(2-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 4118863
1-amino-3-pyridin-4-ylurea
CID 15289585
4-benzamido-N-(2-iodophenyl)benzamide
CID 30766478
1-(3-amino-4-pyridinyl)-3-phenylurea
CID 63061923

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-3-pyridin-4-ylurea?
The IUPAC name of 1-(2-iodophenyl)-3-pyridin-4-ylurea (CID 3370542) is 1-(2-iodophenyl)-3-pyridin-4-ylurea.
What is the SMILES notation for 1-(2-iodophenyl)-3-pyridin-4-ylurea?
The canonical SMILES for 1-(2-iodophenyl)-3-pyridin-4-ylurea is O=C(Nc1ccncc1)Nc1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)-3-pyridin-4-ylurea?
The InChIKey is TUKUDRPADVYSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10IN3O/c13-10-3-1-2-4-11(10)16-12(17)15-9-5-7-14-8-6-9/h1-8H,(H2,14,15,16,17).
What are the key properties of 1-(2-iodophenyl)-3-pyridin-4-ylurea?
1-(2-iodophenyl)-3-pyridin-4-ylurea has a molecular weight of 339.14 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-3-pyridin-4-ylurea is sourced from PubChem (CID 3370542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).