N'-(5-Chloro-3-fluoropyridin-2-yl)acetohydrazide

CAS Number: 1150561-82-2
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CC(NNc(c(F)c1)ncc1Cl)=O
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C7H7N3OClF
Molecular Weight
203.604
Drug-likeness
-0.40998
CAS
1150561-82-2
InChI key
NNYOKSGJLISDRJ-UHFFFAOYSA-N
SMILES
CC(NNc(c(F)c1)ncc1Cl)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: low
PropertyValue
CAS Number 1150561-82-2
Molecule Name N'-(5-Chloro-3-fluoropyridin-2-yl)acetohydrazide
Molecular Formula C7H7N3OClF
SMILES CC(NNc(c(F)c1)ncc1Cl)=O
InChI InChI=1S/C7H7ClFN3O/c1-4(13)11-12-7-6(9)2-5(8)3-10-7/h2-3H,1H3,(H,10,12)(H,11,13)
InChI Key NNYOKSGJLISDRJ-UHFFFAOYSA-N
CanonicalSyTyLFy c6bb007d7adb33d9
TotalMolweight 203.604
Molecular Weight 203.604
MonoisotopicMass 203.026167
CLogP 1.8704
CLogS -2.348
H Acceptors 4
H Donors 2
TotalSurfaceArea 146.72
Relative PSA 0.31986
PolarSurfaceArea 54.02
Drug-likeness -0.40998
Mutagenic none
Tumorigenic none
Reproductive Effective low
Irritant none
Shape Index 0.69231
Molecula Flexibility 0.41364
Molecular Complexity 0.67674
Fragments 1
Non HAtoms 13
NonCHAtoms 6
Electronegative Atoms 6
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 1
Aromatic Nitrogens 1
BasicNitrogens 1

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