(5-(2,2,2-Trifluoroacetyl)pyridin-3-yl)boronic acid
Basic information
- CAS
1310384-93-0- Standard SMILES
O=C(c1cncc(B(O)O)c1)C(F)(F)F- InChIKey
CDXOOLIZHDAJLF-UHFFFAOYSA-N- Molecular formula
- C7H5BF3NO3
- Average molar mass
- 218.93 g/mol
- Monoisotopic mass
- 219.0314577
Names & identifiers
- Preferred name
- (5-(2,2,2-Trifluoroacetyl)pyridin-3-yl)boronic acid
- IUPAC
- [5-(2,2,2-trifluoroacetyl)-3-pyridinyl]boronic acid
- English name
- 5-Trifluoroacetylpyridine-3-boronic acid
- Molecular formula
- C7H5BF3NO3
- Molecular weight
- 218.93
Names & synonyms
1310384-93-0(5-(2,2,2-Trifluoroacetyl)pyridin-3-yl)boronic acid5-Trifluoroacetylpyridine-3-boronic acid[5-(2,2,2-trifluoroacetyl)pyridin-3-yl]boronic acid[5-(TRIFLUOROACETYL)PYRIDIN-3-YL]BORONIC ACID(5-(2,2,2-Trifluoroacetyl)-pyridin-3-yl)boronic acid[5-(2,2,2-trifluoroacetyl)-3-pyridyl]boronic acidDTXSID40694482CDXOOLIZHDAJLF-UHFFFAOYSA-N[5-(2,2,2-trifluoro-1-oxoethyl)-3-pyridinyl]boronic acid[5-[2,2,2-tris(fluoranyl)ethanoyl]pyridin-3-yl]boronic acidAKOS015950212
Show more names
168321
AB39743FD10203[5-(Trifluoroacetyl)pyridin-3-yl]boronicacidBoronic acid, B-[5-(2,2,2-trifluoroacetyl)-3-pyridinyl]-
Database identifiers
- CAS
1310384-93-0- PubChem CID
- 53398526
- DTXSID
DTXSID40694482
Properties
Computed structural properties
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- storage temp.
- 2 · 2-8°C
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Compound notes
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