6-Methoxy-2-methylpyridin-3-amine--hydrogen chloride (1/1)

CAS Number: 320577-63-7
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Cc(nc(cc1)OC)c1N.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C7H10N2O
Molecular Weight
138.169
Drug-likeness
-1.7702
CAS
320577-63-7
InChI key
DTJPPEOWDYKBLV-UHFFFAOYSA-N
SMILES
Cc(nc(cc1)OC)c1N.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 320577-63-7
Molecule Name 6-Methoxy-2-methylpyridin-3-amine--hydrogen chloride (1/1)
Molecular Formula HCl.C7H10N2O
SMILES Cc(nc(cc1)OC)c1N.Cl
InChI InChI=1S/C7H10N2O.ClH/c1-5-6(8)3-4-7(9-5)10-2;/h3-4H,8H2,1-2H3;1H
InChI Key DTJPPEOWDYKBLV-UHFFFAOYSA-N
CanonicalSyTyLFy 2448f31147330f52
TotalMolweight 174.63
Molecular Weight 138.169
MonoisotopicMass 138.079313
CLogP 0.6607
CLogS -1.808
H Acceptors 3
H Donors 1
TotalSurfaceArea 115.06
Relative PSA 0.31497
PolarSurfaceArea 48.14
Drug-likeness -1.7702
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.7
Molecula Flexibility 0.15482
Molecular Complexity 0.6993
Fragments 2
Non HAtoms 10
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 3
Amines 1
Aromatic Amines 1
Aromatic Nitrogens 1

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