3,5-Dibromo-2-chloro-4-methylpyridine

CAS Number: 1000017-92-4
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Cc(c(Br)c(nc1)Cl)c1Br
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C6H4NBr2Cl
Molecular Weight
285.366
Drug-likeness
-3.6
CAS
1000017-92-4
InChI key
PFKZKCIYLRBYBZ-UHFFFAOYSA-N
SMILES
Cc(c(Br)c(nc1)Cl)c1Br
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1000017-92-4
Molecule Name 3,5-Dibromo-2-chloro-4-methylpyridine
Molecular Formula C6H4NBr2Cl
SMILES Cc(c(Br)c(nc1)Cl)c1Br
InChI InChI=1S/C6H4Br2ClN/c1-3-4(7)2-10-6(9)5(3)8/h2H,1H3
InChI Key PFKZKCIYLRBYBZ-UHFFFAOYSA-N
CanonicalSyTyLFy 761ab0f4686c0053
TotalMolweight 285.366
Molecular Weight 285.366
MonoisotopicMass 282.839898
CLogP 3.1564
CLogS -3.332
H Acceptors 1
TotalSurfaceArea 136.96
Relative PSA 0.080096
PolarSurfaceArea 12.89
Drug-likeness -3.6
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions polyhalo aromatic ring
Shape Index 0.6
Molecular Complexity 0.74753
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

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