1-(4-Fluorophenyl)-3-(6-methylpyridin-2-yl)urea

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Basic information

CAS: 406930-07-2
Standard SMILES: Cc1cccc(NC(=O)Nc2ccc(F)cc2)n1
InChIKey: HKSKNTROGMGELW-UHFFFAOYSA-N
Molecular formula: C13H12FN3O
Average molar mass: 245.25 g/mol
Monoisotopic mass: 245.09644018

Names & identifiers

Preferred name: 1-(4-Fluorophenyl)-3-(6-methylpyridin-2-yl)urea
IUPAC: 1-(4-fluorophenyl)-3-(6-methyl-2-pyridinyl)urea

Names & synonyms

1-(4-fluorophenyl)-3-(6-methylpyridin-2-yl)urea406930-07-2N-(4-fluorophenyl)-N'-(6-methyl-2-pyridinyl)ureaN-(4-fluorophenyl)-N'-(6-methylpyridin-2-yl)ureaNSC215607Cambridge id 5852984Oprea1_337707MLS001181893CHEMBL1332880DTXSID801329952HMS1819A20HMS2851O07

Show more names

HMS5175N03CCG-64979STL310301AKOS001798644NSC-215607NCGC00106833-01SMR000567547ST51030245

Database identifiers

CAS: 406930-07-2
PubChem CID: 310683
DTXSID: DTXSID801329952
ChEMBL: CHEMBL1332880

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 54 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 279

Experimental & physicochemical properties

Solubility1.6 [ug/mL] (The mean of the results at pH 7.4)

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Compound notes

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