Basic information
- CAS
832717-34-7- Standard SMILES
O=C(O)c1c[nH]c2c(I)cccc2c1=O- InChIKey
LWJIHHQENNRCSH-UHFFFAOYSA-N- Molecular formula
- C10H6INO3
- Average molar mass
- 315.06 g/mol
- Monoisotopic mass
- 314.93924
Names & identifiers
- Preferred name
- 8-Iodo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- IUPAC
- 8-iodo-4-oxo-1H-quinoline-3-carboxylic acid
Names & synonyms
49713-46-4832717-34-78-iodo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid4-hydroxy-8-iodoquinoline-3-carboxylic acid8-iodo-4-oxo-1H-quinoline-3-carboxylic acidMFCD068085758-iodo-4-oxo-1,4-dihydro-quinoline-3-carboxylic acidSCHEMBL1244916SCHEMBL27487163DTXSID30619649LWJIHHQENNRCSH-UHFFFAOYSA-NMFCD12192836
Show more names
4-Hydroxy-8-iodoquinoline-3-carboxylicacidDB-229147CS-0452976D872888-Iodo4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
Database identifiers
- CAS
832717-34-7- PubChem CID
- 21897578
- DTXSID
DTXSID30619649
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 340
Related reactions
8 records
Compound notes
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