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4,6-dichloro-2H-pyrazolo[3,4-b]pyridine

4,6-dichloro-2H-pyrazolo[3,4-b]pyridine

CAS: 2105905-46-0

Formula: C6H3Cl2N3

SMILES: ClC1=NC2=NNC=C2C(Cl)=C1

IUPAC: 4,6-dichloro-2H-pyrazolo[3,4-b]pyridine

InChI: InChI=1S/C6H3Cl2N3/c7-4-1-5(8)10-6-3(4)2-9-11-6/h1-2H,(H,9,10,11)

Composition: C (38.33%), H (1.61%), Cl (37.71%), N (22.35%)

Molar Mass: 188.01

Atom Count: 14

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 186.9704025
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey KBMYBHMAMVXIQL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.91
Topological Polar Surface Area 41.57
Polarizability 16.99
Ring Count 2
Rotatable Bond Count 0

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