1-(4-bromo-2-chlorophenyl)-3-pyridin-4-ylurea

C12H9BrClN3O — CID 24819113

IUPAC1-(4-bromo-2-chlorophenyl)-3-pyridin-4-ylurea
SMILESO=C(Nc1ccncc1)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C12H9BrClN3O/c13-8-1-2-11(10(14)7-8)17-12(18)16-9-3-5-15-6-4-9/h1-7H,(H2,15,16,17,18)
InChIKeyJXPZTYGADJOYTJ-UHFFFAOYSA-N
MW326.58 g/mol
LogP4.14
Rot. Bonds2

About 1-(4-bromo-2-chlorophenyl)-3-pyridin-4-ylurea

1-(4-bromo-2-chlorophenyl)-3-pyridin-4-ylurea (PubChem CID 24819113) has the molecular formula C12H9BrClN3O and a molecular weight of 326.58 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-pyridin-4-ylurea
PubChem CID24819113
Molecular FormulaC12H9BrClN3O
Molecular Weight326.58 g/mol
Exact Mass324.96
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-pyridin-4-ylurea
SMILESO=C(Nc1ccncc1)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C12H9BrClN3O/c13-8-1-2-11(10(14)7-8)17-12(18)16-9-3-5-15-6-4-9/h1-7H,(H2,15,16,17,18)
InChIKeyJXPZTYGADJOYTJ-UHFFFAOYSA-N
XLogP4.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2-chlorophenyl)-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-pyridin-4-ylurea?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-pyridin-4-ylurea (CID 24819113) is 1-(4-bromo-2-chlorophenyl)-3-pyridin-4-ylurea.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-pyridin-4-ylurea?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-pyridin-4-ylurea is O=C(Nc1ccncc1)Nc1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-pyridin-4-ylurea?
The InChIKey is JXPZTYGADJOYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O/c13-8-1-2-11(10(14)7-8)17-12(18)16-9-3-5-15-6-4-9/h1-7H,(H2,15,16,17,18).
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-pyridin-4-ylurea?
1-(4-bromo-2-chlorophenyl)-3-pyridin-4-ylurea has a molecular weight of 326.58 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-pyridin-4-ylurea is sourced from PubChem (CID 24819113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).