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ethyl 6-chloro-1H-pyrazolo[4,3-b]pyridine-3-carboxylate

ethyl 6-chloro-1H-pyrazolo[4,3-b]pyridine-3-carboxylate

CAS: 1363380-62-4

Formula: C9H8ClN3O2

SMILES: CCOC(=O)C1=NNC2=CC(Cl)=CN=C12

IUPAC: ethyl 6-chloro-1H-pyrazolo[4,3-b]pyridine-3-carboxylate

InChI: InChI=1S/C9H8ClN3O2/c1-2-15-9(14)8-7-6(12-13-8)3-5(10)4-11-7/h3-4H,2H2,1H3,(H,12,13)

Composition: C (47.91%), H (3.57%), Cl (15.71%), N (18.62%), O (14.18%)

Molar Mass: 225.63

Atom Count: 23

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 225.0305042
Formal Charge 0
FSP3 0.22
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey CZOQCLRXLRTRLX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.75
Topological Polar Surface Area 67.87
Polarizability 21.96
Ring Count 2
Rotatable Bond Count 3

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