3,5-Diiodo-6-methylpyridin-2-amine

CAS Number: 1000342-88-0
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Cc(c(I)c1)nc(N)c1I
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C6H6N2I2
Molecular Weight
359.928
Drug-likeness
-0.82269
CAS
1000342-88-0
InChI key
BSXUGYBTSPNQDE-UHFFFAOYSA-N
SMILES
Cc(c(I)c1)nc(N)c1I
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1000342-88-0
Molecule Name 3,5-Diiodo-6-methylpyridin-2-amine
Molecular Formula C6H6N2I2
SMILES Cc(c(I)c1)nc(N)c1I
InChI InChI=1S/C6H6I2N2/c1-3-4(7)2-5(8)6(9)10-3/h2H,1H3,(H2,9,10)
InChI Key BSXUGYBTSPNQDE-UHFFFAOYSA-N
CanonicalSyTyLFy 9e48ee57b51c9d6c
TotalMolweight 359.928
Molecular Weight 359.928
MonoisotopicMass 359.862044
CLogP 1.6049
CLogS -3.822
H Acceptors 2
H Donors 1
TotalSurfaceArea 145.36
Relative PSA 0.18052
PolarSurfaceArea 38.91
Drug-likeness -0.82269
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.6
Molecular Complexity 0.73271
Fragments 1
Non HAtoms 10
NonCHAtoms 4
Electronegative Atoms 4
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 1
Aromatic Nitrogens 1
BasicNitrogens 1

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