Pyridine-2-carboximidamide--hydrogen chloride (1/1)

CAS Number: 51285-26-8
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NC(c1ncccc1)=N.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C6H7N3
Molecular Weight
121.143
Drug-likeness
-1.2915
CAS
51285-26-8
InChI key
GMHCEDDZKAYPLB-UHFFFAOYSA-N
SMILES
NC(c1ncccc1)=N.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 51285-26-8
Molecule Name Pyridine-2-carboximidamide--hydrogen chloride (1/1)
Molecular Formula HCl.C6H7N3
SMILES NC(c1ncccc1)=N.Cl
InChI InChI=1S/C6H7N3.ClH/c7-6(8)5-3-1-2-4-9-5;/h1-4H,(H3,7,8);1H
InChI Key GMHCEDDZKAYPLB-UHFFFAOYSA-N
CanonicalSyTyLFy b246d09438609963
TotalMolweight 157.604
Molecular Weight 121.143
MonoisotopicMass 121.063997
CLogP -0.599
CLogS -0.114
H Acceptors 3
H Donors 2
TotalSurfaceArea 100.85
Relative PSA 0.41487
PolarSurfaceArea 62.76
Drug-likeness -1.2915
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.66667
Molecula Flexibility 0.095473
Molecular Complexity 0.7083
Fragments 2
Non HAtoms 9
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Aromatic Nitrogens 1

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