1-(3,4-Dichlorophenyl)-3-(6-methylpyridin-2-yl)urea
Basic information
- CAS
5657-95-4- Standard SMILES
Cc1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)n1- InChIKey
LAKSASARLXGJSN-UHFFFAOYSA-N- Molecular formula
- C13H11Cl2N3O
- Average molar mass
- 296.15 g/mol
- Monoisotopic mass
- 295.0279174
Names & identifiers
- Preferred name
- 1-(3,4-Dichlorophenyl)-3-(6-methylpyridin-2-yl)urea
- IUPAC
- 1-(3,4-dichlorophenyl)-3-(6-methyl-2-pyridinyl)urea
Names & synonyms
1-(3,4-dichlorophenyl)-3-(6-methylpyridin-2-yl)urea5657-95-4DTXSID10350609RefChem:223964DTXCID10301676N-(3,4-dichlorophenyl)-N'-(6-methyl-2-pyridinyl)ureaN-(3,4-Dichlorophenyl)-N'-(6-methylpyridin-2-yl)urea1-(3,4-dichlorophenyl)-3-(6-methyl-2-pyridinyl)ureaCambridge id 5657954Oprea1_308637Oprea1_338593MLS001203416
Show more names
CHEMBL15088191-(3,4-Dichloro-phenyl)-3-(6-methyl-pyridin-2-yl)-ureaHMS2847H19HMS5171E20STK789209AKOS000533060SMR000514769ST4016179
Database identifiers
- CAS
5657-95-4- PubChem CID
- 684089
- DTXSID
DTXSID10350609- ChEMBL
CHEMBL1508819
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 316
Experimental & physicochemical properties
Solubility<0.2 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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