1-(6-Methoxypyridin-3-yl)-3-(4-nitrophenyl)urea
Basic information
- CAS
380332-19-4- Standard SMILES
COc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1- InChIKey
VEQOEIFRJLOMNJ-UHFFFAOYSA-N- Molecular formula
- C13H12N4O4
- Average molar mass
- 288.26 g/mol
- Monoisotopic mass
- 288.08585488
Names & identifiers
- Preferred name
- 1-(6-Methoxypyridin-3-yl)-3-(4-nitrophenyl)urea
- IUPAC
- 1-(6-methoxy-3-pyridinyl)-3-(4-nitrophenyl)urea
Names & synonyms
380332-19-41-(6-methoxypyridin-3-yl)-3-(4-nitrophenyl)urea1-(6-Methoxy-3-pyridyl)-3-(4-nitrophenyl)ureaOprea1_1028043-(6-methoxypyridin-3-yl)-1-(4-nitrophenyl)ureaMLS001177913CHEMBL1459684DTXSID901326018HMS2902A05AC6039MFCD03149339AKOS024300301
Show more names
EBC-561126SMR000591804SY246365CS-0294072N-(6-Methoxypyridin-3-yl)-N'-(4-nitrophenyl)ureaZ44605944
Database identifiers
- CAS
380332-19-4- PubChem CID
- 4547792
- DTXSID
DTXSID901326018- ChEMBL
CHEMBL1459684
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 366
Experimental & physicochemical properties
Solubility0.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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