5-(4-Amino-3-pyridinyl)thiophene-2-carboxylic acid
Basic information
- CAS
887201-26-5- Standard SMILES
Nc1ccncc1-c1ccc(C(=O)O)s1- InChIKey
VELQZAGPJZYXSD-UHFFFAOYSA-N- Molecular formula
- C10H8N2O2S
- Average molar mass
- 220.25 g/mol
Names & identifiers
- Preferred name
- 5-(4-Amino-3-pyridinyl)thiophene-2-carboxylic acid
- IUPAC
- 5-(4-amino-3-pyridinyl)thiophene-2-carboxylic acid
- English name
- 5-(4-Aminopyridin-3-yl)thiophene-2-carboxylic acid
- Molecular formula
- C10H8N2O2S
- Molecular weight
- 220.25
Names & synonyms
CHEMBL4128224AKOS016397924IFLAB-BB F1956-00125-(4-Aminopyridin-3-yl)thiophene-2-carboxylic acid2-Thiophenecarboxylic acid, 5-(4-amino-3-pyridinyl)-
Database identifiers
- CAS
887201-26-5- ChEMBL
CHEMBL4128224
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Boiling point
- 501.3 · 501.3±50.0 °C(Predicted)
- Density
- 1.446 · 1.446±0.06 g/cm3(Predicted)
- pka
- 2.84 · 2.84±0.10(Predicted)
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Compound notes
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