Selenolo(2,3-b)pyridine-2-carboxylic acid
Basic information
- CAS
41323-21-1- Standard SMILES
O=C(O)c1cc2cccnc2[se]1- InChIKey
GCXKRSCIRSMQAC-UHFFFAOYSA-N- Molecular formula
- C8H5NO2Se
- Average molar mass
- 226.1 g/mol
- Monoisotopic mass
- 226.94855
Names & identifiers
- Preferred name
- Selenolo(2,3-b)pyridine-2-carboxylic acid
- IUPAC
- selenopheno[2,3-b]pyridine-2-carboxylic acid
- English name
- Selenolo[2,3-b]pyridine-2-carboxylic acid
- Molecular formula
- C8H5NO2Se
- Molecular weight
- 226.09
Names & synonyms
Selenolo[2,3-b]pyridine-2-carboxylic acid41323-21-1DTXSID00346778Selenolo(2,3-b)pyridine-2-carboxylic acidRefChem:380086DTXCID80297850GCXKRSCIRSMQAC-UHFFFAOYSA-NSelenopheno[2,3-b]pyridine-2-carboxylic acidSCHEMBL14829291Selenopheno[2,3-b]pyridine-2-carboxylic acid #
Database identifiers
- CAS
41323-21-1- PubChem CID
- 614893
- DTXSID
DTXSID00346778- Nikkaji
- J144.467K
Properties
Computed structural properties
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Boiling point
- 407.5 · 407.5±48.0 °C(Predicted)
- pka
- 2.38 · 2.38±0.30(Predicted)
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Related reactions
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Compound notes
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