2-(4-Bromophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
Basic information
- CAS
452967-18-9- Standard SMILES
O=C(O)c1ccc2nc(-c3ccc(Br)cc3)cn2c1- InChIKey
RFUPQMNNZGSOKV-UHFFFAOYSA-N- Molecular formula
- C14H9BrN2O2
- Average molar mass
- 317.14 g/mol
- Monoisotopic mass
- 315.98474
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
- IUPAC
- 2-(4-bromophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
- English name
- 2-(4-Bromophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
- Molecular formula
- C14H9BrN2O2
- Molecular weight
- 317.14
Names & synonyms
2-(4-bromophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid452967-18-9MFCD03848683AKOS005100015CS-03646577W-0388SR-01000306895SR-01000306895-12-(4-bromophenyl)imidazo[1,2-a]pyridine-6-carboxylicacidImidazo[1,2-a]pyridine-6-carboxylic acid, 2-(4-bromophenyl)-
Database identifiers
- CAS
452967-18-9- PubChem CID
- 1485642
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Density
- 1.62 · 1.62±0.1 g/cm3(Predicted)
- pka
- 0.53 · 0.53±0.41(Predicted)
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Compound notes
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