2-(4-Fluorophenyl)nicotinic acid
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Basic information
- CAS
101419-78-7- Standard SMILES
O=C(O)c1cccnc1-c1ccc(F)cc1- InChIKey
ACGWDCZWNMSHNE-UHFFFAOYSA-N- Molecular formula
- C12H8FNO2
- Average molar mass
- 217.2 g/mol
- Monoisotopic mass
- 217.05390666
Names & identifiers
- Preferred name
- 2-(4-Fluorophenyl)nicotinic acid
- IUPAC
- 2-(4-fluorophenyl)pyridine-3-carboxylic acid
- English name
- 2-(4-Fluorophenyl)nicotinic acid
- Molecular formula
- C12H8FNO2
- Molecular weight
- 217.2
Names & synonyms
2-(4-FLUOROPHENYL)NICOTINIC ACID101419-78-72-(4-Fluorophenyl)pyridine-3-carboxylic acidMFCD147000373-Pyridinecarboxylic acid, 2-(4-fluorophenyl)-2-(4-Fluorophenyl)nicotinicacidSCHEMBL3712467DTXSID60544778AKOS015899208AS-66993DB-346141CS-0060358
Show more names
2-(4-Fluorophenyl)-3-pyridinecarboxylic acid
W18152F236115F2167-2993
Database identifiers
- CAS
101419-78-7- PubChem CID
- 13601374
- DTXSID
DTXSID60544778
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 354.2 · 354.2±27.0 °C(Predicted)
- Density
- 1.318 · 1.318±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.86 · 1.86±0.36(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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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