Urea, 1-(5-chloro-2-pyridyl)-3-methyl-
Basic information
- CAS
17771-34-5- Standard SMILES
CNC(=O)Nc1ccc(Cl)cn1- InChIKey
GRPWTVWAOMIJHR-UHFFFAOYSA-N- Molecular formula
- C7H8ClN3O
- Average molar mass
- 185.61 g/mol
- Monoisotopic mass
- 185.0355896
Names & identifiers
- Preferred name
- Urea, 1-(5-chloro-2-pyridyl)-3-methyl-
- IUPAC
- 1-(5-chloro-2-pyridinyl)-3-methylurea
- English name
- 1-(5-Chloro-2-pyridinyl)-3-methylurea
- Molecular formula
- C7H8ClN3O
- Molecular weight
- 185.61
Names & synonyms
1-(5-chloropyridin-2-yl)-3-methylurea17771-34-5Urea, 1-(5-chloro-2-pyridyl)-3-methyl-NSC-22250496VSF6EW2ZDTXSID20170370RefChem:1100754DTXCID60928611-(5-Chloro-2-pyridyl)-3-methylureaNSC222504N-(5-Chloro-2-pyridinyl)-N'-methylureaNSC 222504
Show more names
Urea, N-(5-chloro-2-pyridinyl)-N'-methyl-
BRN 03902291-(5-Chloro-2-pyridinyl)-3-methylurea1-(5-chloro-2-pyridyl)-3-methyl-ureaN-(5-Chloropyridin-2-yl)-N'-methylureaN-(5-CHLORO-PYRIDIN-2-YL)-N'-METHYL-UREA
Database identifiers
- CAS
17771-34-5- PubChem CID
- 99418
- DTXSID
DTXSID20170370- UNII
- 96VSF6EW2Z
- Nikkaji
- J48.902F
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 195 · 195-197 °C(Solv: methanol (67-56-1))
- Boiling point
- 278.9 · 278.9±40.0 °C(Predicted)
- Density
- 1.359 · 1.359±0.06 g/cm3(Predicted)
- pka
- 12.86 · 12.86±0.70(Predicted)
- FDA UNII
- 96 VSF6EW2Z · 96VSF6EW2Z
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…