Pyridine, 3-amino-, hydrochloride

CAS Number: 73074-20-1
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Nc1cccnc1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C5H6N2
Molecular Weight
94.1166
Drug-likeness
-1.9084
CAS
73074-20-1
InChI key
XNYFAJZQMFNULQ-UHFFFAOYSA-N
SMILES
Nc1cccnc1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 73074-20-1
Molecule Name Pyridine, 3-amino-, hydrochloride
Molecular Formula HCl.C5H6N2
SMILES Nc1cccnc1.Cl
InChI InChI=1S/C5H6N2.ClH/c6-5-2-1-3-7-4-5;/h1-4H,6H2;1H
InChI Key XNYFAJZQMFNULQ-UHFFFAOYSA-N
CanonicalSyTyLFy 6ef6149198554b0a
TotalMolweight 130.578
Molecular Weight 94.1166
MonoisotopicMass 94.053098
CLogP -0.0186
CLogS -0.897
H Acceptors 2
H Donors 1
TotalSurfaceArea 80.54
Relative PSA 0.3258
PolarSurfaceArea 38.91
Drug-likeness -1.9084
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.71429
Molecular Complexity 0.69315
Fragments 2
Non HAtoms 7
NonCHAtoms 2
Electronegative Atoms 2
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Amines 1
Aromatic Amines 1
Aromatic Nitrogens 1

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