Basic information
- Standard SMILES
Cc1cc(I)cc2c(=O)oc(-c3cc(Cl)nn3-c3ncccc3Cl)nc12- InChIKey
KPYNKVLZTDNSRP-UHFFFAOYSA-N- Molecular formula
- C17H9Cl2IN4O2
- Average molar mass
- 499.1 g/mol
Names & identifiers
- Preferred name
- 2-[3-chloro-1-(3-chloro-2-pyridinyl)-1H-pyrazol-5-yl]-6-iodo-8-methyl-4H-3,1-benzoxazin-4-one
- IUPAC
- 2-[3-chloro-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-6-iodo-8-methyl-3,1-benzoxazin-4-one
Names & synonyms
SCHEMBL959838KPYNKVLZTDNSRP-UHFFFAOYSA-N2-[3-chloro-1-(3-chloro-2-pyridin yl)-1H-pyrazol-5-yl]-6-iodo-8-methyl-4H-3,1-benzoxazin-4-one2-[3-chloro-1-(3-chloro-2-pyridinyl)-1H-pyrazol-5-yl]-6-iodo-8-methyl-4H-3,1-benzoxazin-4-one
Database identifiers
- PubChem CID
- 66858019
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 595
Related reactions
8 records
Compound notes
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