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

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

CAS: 1256802-09-1

Formula: C7H3ClF3N3

SMILES: FC(F)(F)C1=NNC2=NC=CC(Cl)=C12

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

InChI: InChI=1S/C7H3ClF3N3/c8-3-1-2-12-6-4(3)5(13-14-6)7(9,10)11/h1-2H,(H,12,13,14)

Composition: C (37.95%), H (1.36%), Cl (16.00%), F (25.72%), N (18.97%)

Molar Mass: 221.57

Atom Count: 17

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 220.9967593
Formal Charge 0
FSP3 0.14
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey BBPZAVPGVHWLEG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.28
Topological Polar Surface Area 41.57
Polarizability 16.38
Ring Count 2
Rotatable Bond Count 1

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