Basic information
- CAS
705961-96-2- Standard SMILES
O=C(O)c1cncc(-c2ccccc2F)c1- InChIKey
UEEMCRBSNWWVAA-UHFFFAOYSA-N- Molecular formula
- C12H8FNO2
- Average molar mass
- 217.2 g/mol
- Monoisotopic mass
- 217.05390666
Names & identifiers
- Preferred name
- 5-(2-Fluorophenyl)pyridine-3-carboxylic acid
- IUPAC
- 5-(2-fluorophenyl)pyridine-3-carboxylic acid
- English name
- 5-(2-FLUOROPHENYL)NICOTINIC ACID
- Molecular formula
- C12H8FNO2
- Molecular weight
- 217.2
Names & synonyms
705961-96-25-(2-fluorophenyl)pyridine-3-carboxylic acidDTXSID90602476RefChem:299452DTXCID50553233893-874-55-(2-Fluorophenyl)nicotinic acidMFCD064102585-(2-fluorophenyl)-3-pyridinecarboxylic acidAKOS BAR-1190SCHEMBL25159003-PYRIDINECARBOXYLIC ACID, 5-(2-FLUOROPHENYL)-
Show more names
AKOS004118910AB24234DS-17219SY015776DB-024162CS-0156685EN300-109226O11287
Database identifiers
- CAS
705961-96-2- PubChem CID
- 20100007
- DTXSID
DTXSID90602476- EC Number
- 893-874-5
Properties
Computed structural properties
- 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
- 259
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- HS Code
- 2933399990 · 2933399990
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933399990
Chemistry & industry
Suppliers17 total
宁波振岳医药科技有限公司19817745290 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
杭州摩库生物医药科技有限公司400-711-5280 86-571-81025280 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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