Basic information
- Standard SMILES
Cl.O=C(O)/C=C/c1cnc2[nH]c(=O)[nH]c2c1- InChIKey
OBSQWRGNGDQVMQ-TYYBGVCCSA-N- Molecular formula
- C9H8ClN3O3
- Average molar mass
- 241.63 g/mol
Names & identifiers
- Preferred name
- (E)-3-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)acrylic acid hydrochloride
- IUPAC
- (E)-3-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid;hydrochloride
Names & synonyms
SCHEMBL13518812OBSQWRGNGDQVMQ-TYYBGVCCSA-N(E)-3-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)acrylic acid hydrochloride
Database identifiers
- PubChem CID
- 70926863
Properties
Computed structural properties
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 316
Related reactions
6 records
Compound notes
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