Basic information
- CAS
868944-77-8- Standard SMILES
N#Cc1ccncc1-c1ccccc1F- InChIKey
XOFNFANGRPSNFB-UHFFFAOYSA-N- Molecular formula
- C12H7FN2
- Average molar mass
- 198.2 g/mol
- Monoisotopic mass
- 198.05932639
Names & identifiers
- Preferred name
- 3-(2-Fluorophenyl)pyridine-4-carbonitrile
- IUPAC
- 3-(2-fluorophenyl)pyridine-4-carbonitrile
- English name
- 3-(2-Fluorophenyl)pyridine-4-carbonitrile
- Molecular formula
- C12H7FN2
- Molecular weight
- 198.2
Names & synonyms
868944-77-83-(2-fluorophenyl)isonicotinonitrile3-(2-fluorophenyl)pyridine-4-carbonitrile4-Pyridinecarbonitrile, 3-(2-fluorophenyl)-MFCD14698979SCHEMBL19955394DTXSID10469806AS-77695CS-0457511D93211F777385A1-72115
Database identifiers
- CAS
868944-77-8- PubChem CID
- 11637008
- DTXSID
DTXSID10469806- Nikkaji
- J2.238.031A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Melting point
- 50 · 50-52 °C(Solv: heptane (142-82-5); ethyl acetate (141-78-6))
- Boiling point
- 347.3 · 347.3±32.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 0.76 · 0.76±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
上海敏寒医药科技有限公司17612188245 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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