1-(3-Fluorophenyl)-3-(3-pyridyl)urea
Basic information
- CAS
97966-83-1- Standard SMILES
O=C(Nc1cccnc1)Nc1cccc(F)c1- InChIKey
WFOGJKJRUKGBDO-UHFFFAOYSA-N- Molecular formula
- C12H10FN3O
- Average molar mass
- 231.23 g/mol
- Monoisotopic mass
- 231.08079011
Names & identifiers
- Preferred name
- 1-(3-Fluorophenyl)-3-(3-pyridyl)urea
- IUPAC
- 1-(3-fluorophenyl)-3-pyridin-3-ylurea
- English name
- 1-(3-Fluorophenyl)-3-(3-pyridyl)urea
- Molecular formula
- C12H10FN3O
- Molecular weight
- 231.23
Names & synonyms
1-(3-fluorophenyl)-3-(3-pyridyl)urea97966-83-1RefChem:423838668-125-91-(3-fluorophenyl)-3-pyridin-3-ylureaMLS0012014411-(3-Fluoro-phenyl)-3-pyridin-3-yl-ureaSMR000517146SR-01000367018BAS 01923251cid_853873CHEMBL1371471
Show more names
Urea, N-(3-fluorophenyl)-N'-3-pyridinyl-
REGID_for_CID_853873SCHEMBL22926673BDBM65923HMS2825O03AKOS0005455561-(3-fluorophenyl)-3-(3-pyridinyl)urea1-(3-fluorophenyl)-3-pyridin-3-yl-ureaSR-01000367018-1
Database identifiers
- CAS
97966-83-1- PubChem CID
- 853873
- ChEMBL
CHEMBL1371471- EC Number
- 668-125-9
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 262
Experimental & physicochemical properties
Solubility>34.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 274.9 · 274.9±20.0 °C(Predicted)
- Density
- 1.382 · 1.382±0.06 g/cm3(Predicted)
- pka
- 13.21 · 13.21±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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