5-Fluoroimidazo[1,2-a]pyridine--hydrogen chloride (1/1)

CAS Number: 198896-14-9
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Fc1cccc2nccn12.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C7H5N2F
Molecular Weight
136.129
Drug-likeness
-0.125
CAS
198896-14-9
InChI key
ZKQIOSYZRVPCKZ-UHFFFAOYSA-N
SMILES
Fc1cccc2nccn12.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 198896-14-9
Molecule Name 5-Fluoroimidazo[1,2-a]pyridine--hydrogen chloride (1/1)
Molecular Formula HCl.C7H5N2F
SMILES Fc1cccc2nccn12.Cl
InChI InChI=1S/C7H5FN2.ClH/c8-6-2-1-3-7-9-4-5-10(6)7;/h1-5H;1H
InChI Key ZKQIOSYZRVPCKZ-UHFFFAOYSA-N
CanonicalSyTyLFy a07d4f1d5824a5f0
TotalMolweight 172.59
Molecular Weight 136.129
MonoisotopicMass 136.043676
CLogP 1.0543
CLogS -3.736
H Acceptors 2
TotalSurfaceArea 103.62
Relative PSA 0.18259
PolarSurfaceArea 17.3
Drug-likeness -0.125
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.5
Molecular Complexity 0.79406
Fragments 2
Non HAtoms 10
NonCHAtoms 3
Electronegative Atoms 3
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 9
Aromatic Nitrogens 2
BasicNitrogens 1

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