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3-chloro-1H-pyrazolo[3,4-b]pyridine

3-chloro-1H-pyrazolo[3,4-b]pyridine

CAS: 117007-51-9

Formula: C6H4ClN3

SMILES: ClC1=NNC2=NC=CC=C12

IUPAC: 3-chloro-1H-pyrazolo[3,4-b]pyridine

InChI: InChI=1S/C6H4ClN3/c7-5-4-2-1-3-8-6(4)10-9-5/h1-3H,(H,8,9,10)

Composition: C (46.93%), H (2.63%), Cl (23.08%), N (27.36%)

Molar Mass: 153.57

Atom Count: 14

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 153.0093748
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey BGPRRDAIUYNVDJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.73
Topological Polar Surface Area 41.57
Polarizability 15.05
Ring Count 2
Rotatable Bond Count 0

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