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

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

CAS: 1234616-05-7

Formula: C9H8BrN3O2

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

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

InChI: InChI=1S/C9H8BrN3O2/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 (40.02%), H (2.99%), Br (29.58%), N (15.56%), O (11.85%)

Molar Mass: 270.086

Atom Count: 23

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 268.97999
Formal Charge 0
FSP3 0.22
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey XQXVIARYOPRUQD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.57
Topological Polar Surface Area 67.87
Polarizability 22.91
Ring Count 2
Rotatable Bond Count 3

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