1-(5-Chloropyridin-2-yl)-3-phenylurea
Basic information
- CAS
10461-91-3- Standard SMILES
O=C(Nc1ccccc1)Nc1ccc(Cl)cn1- InChIKey
FTIHUAKSLYLXGC-UHFFFAOYSA-N- Molecular formula
- C12H10ClN3O
- Average molar mass
- 247.68 g/mol
- Monoisotopic mass
- 247.0512396
Names & identifiers
- Preferred name
- 1-(5-Chloropyridin-2-yl)-3-phenylurea
- IUPAC
- 1-(5-chloro-2-pyridinyl)-3-phenylurea
- English name
- N-(5-chloropyridin-2-yl)-N'-phenylurea
- Molecular formula
- C12H10ClN3O
- Molecular weight
- 247.68
Names & synonyms
1-(5-chloropyridin-2-yl)-3-phenylurea10461-91-3DTXSID50356387RefChem:225743DTXCID60307446Urea, N-(5-chloro-2-pyridinyl)-N'-phenyl-N-(5-chloro-2-pyridinyl)-N'-phenylureaN-(5-Chloropyridin-2-yl)-N'-phenylureaN-(5-chloropyridin-2-yl)-N/'-phenylureaSCHEMBL27578720STK367531AKOS003659797
Show more names
[(5-chloro(2-pyridyl))amino]-N-benzamideST50932835AG-389/30939059SR-01000225649SR-01000225649-1
Database identifiers
- CAS
10461-91-3- PubChem CID
- 822883
- DTXSID
DTXSID50356387- Nikkaji
- J2.171.737A
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Melting point
- 206 °C · 206 °C
- Boiling point
- 299.6 · 299.6±25.0 °C(Predicted)
- Density
- 1.415 · 1.415±0.06 g/cm3(Predicted)
- pka
- 12.27 · 12.27±0.70(Predicted)
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Related reactions
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Compound notes
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