4-CHLORO-6-FLUORO-2-METHYLQUINOLINE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII J4H7RKB7PT
EPA CompTox DTXSID00171769

Structure

InChI Key GMMVVJJBQBYMNZ-UHFFFAOYSA-N
Smiles FC=1C=CC=2N=C(C=C(Cl)C2C1)C
InChI
InChI=1/C10H7ClFN/c1-6-4-9(11)8-5-7(12)2-3-10(8)13-6/h2-5H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H7ClFN
Molecular Weight 195.03
AlogP 3.34
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 18529-01-6
NORMAN SUSDAT
FDA SRS J4H7RKB7PT
PubChem 87694
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