1-(4-bromophenyl)-3-pyridin-4-ylurea

C12H10BrN3O — CID 677050

IUPAC1-(4-bromophenyl)-3-pyridin-4-ylurea
SMILESO=C(Nc1ccncc1)Nc1ccc(Br)cc1
InChIInChI=1S/C12H10BrN3O/c13-9-1-3-10(4-2-9)15-12(17)16-11-5-7-14-8-6-11/h1-8H,(H2,14,15,16,17)
InChIKeyBYJPORAHCOTREF-UHFFFAOYSA-N
MW292.14 g/mol
LogP3.49
Rot. Bonds2

About 1-(4-bromophenyl)-3-pyridin-4-ylurea

1-(4-bromophenyl)-3-pyridin-4-ylurea (PubChem CID 677050) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-pyridin-4-ylurea
PubChem CID677050
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name1-(4-bromophenyl)-3-pyridin-4-ylurea
SMILESO=C(Nc1ccncc1)Nc1ccc(Br)cc1
InChIInChI=1S/C12H10BrN3O/c13-9-1-3-10(4-2-9)15-12(17)16-11-5-7-14-8-6-11/h1-8H,(H2,14,15,16,17)
InChIKeyBYJPORAHCOTREF-UHFFFAOYSA-N
XLogP3.49
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)-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-(4-aminophenyl)-3-(4-bromophenyl)urea
CID 43469017
1-(3,5-dimethylphenyl)-3-pyridin-4-ylurea
CID 47385463
1-(4-bromophenyl)-3-(3,4-dihydro-2H-pyrrol-5-yl)urea
CID 21406183
1-amino-3-pyridin-4-ylurea
CID 15289585
1-(2-bromo-4,6-difluorophenyl)-3-pyridin-4-ylurea
CID 58862009
1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea
CID 108892683
N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide
CID 6468047
1-[4-(aminomethyl)phenyl]-3-(4-bromophenyl)urea
CID 68938927
1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 100973286
N-[4-(4-bromophenyl)sulfanylphenyl]pyridine-4-carboxamide
CID 18270594
1-(4-bromophenyl)-3-[5-[(4-bromophenyl)carbamoylamino]-2,6-dimethyl-3-pyridinyl]urea
CID 4860693
1-(4-bromophenyl)-3-thiophen-2-ylurea
CID 108889102

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-pyridin-4-ylurea?
The IUPAC name of 1-(4-bromophenyl)-3-pyridin-4-ylurea (CID 677050) is 1-(4-bromophenyl)-3-pyridin-4-ylurea.
What is the SMILES notation for 1-(4-bromophenyl)-3-pyridin-4-ylurea?
The canonical SMILES for 1-(4-bromophenyl)-3-pyridin-4-ylurea is O=C(Nc1ccncc1)Nc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-pyridin-4-ylurea?
The InChIKey is BYJPORAHCOTREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c13-9-1-3-10(4-2-9)15-12(17)16-11-5-7-14-8-6-11/h1-8H,(H2,14,15,16,17).
What are the key properties of 1-(4-bromophenyl)-3-pyridin-4-ylurea?
1-(4-bromophenyl)-3-pyridin-4-ylurea has a molecular weight of 292.14 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-pyridin-4-ylurea is sourced from PubChem (CID 677050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).