Basic information
- CAS
685125-22-8- Standard SMILES
O=C(O)c1c(C(F)(F)F)cc[nH]c1=O- InChIKey
BTKJQACWGYUCRA-UHFFFAOYSA-N- Molecular formula
- C7H4F3NO3
- Average molar mass
- 207.11 g/mol
- Monoisotopic mass
- 207.01432748
Names & identifiers
- Preferred name
- 2-Hydroxy-4-(trifluoromethyl)nicotinic acid
- IUPAC
- 2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid
- English name
- 2-Hydroxy-4-(trifluoromethyl)nicotinic acid
- Molecular formula
- C7H4F3NO3
- Molecular weight
- 207.11
Names & synonyms
2-hydroxy-4-(trifluoromethyl)nicotinic acid685125-22-81,2-Dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinecarboxylic acid2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylic acid2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acidMaybridge3_005034BTKJQACWGYUCRA-UHFFFAOYSA-NHMS1445E18CCG-55695IDI1_016421AS-96147DB-217380
Show more names
E70368F556028SR-01000644709-13-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-4-(trifluoromethyl)-1,2-Dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinecarboxylic acid - [D94234]
Database identifiers
- CAS
685125-22-8- PubChem CID
- 2727097
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 354
Chemistry & industry
Suppliers7 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Cochemical Co. Ltd.+86-029-86115547 +86-17791676824 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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