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methyl 3-bromo-1H-pyrazolo[4,3-c]pyridine-6-carboxylate

methyl 3-bromo-1H-pyrazolo[4,3-c]pyridine-6-carboxylate

CAS: 1206979-28-3

Formula: C8H6BrN3O2

SMILES: COC(=O)C1=NC=C2C(Br)=NNC2=C1

IUPAC: methyl 3-bromo-1H-pyrazolo[4,3-c]pyridine-6-carboxylate

InChI: InChI=1S/C8H6BrN3O2/c1-14-8(13)6-2-5-4(3-10-6)7(9)12-11-5/h2-3H,1H3,(H,11,12)

Composition: C (37.53%), H (2.36%), Br (31.21%), N (16.41%), O (12.50%)

Molar Mass: 256.059

Atom Count: 20

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 254.964339
Formal Charge 0
FSP3 0.12
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey XZSUDVUYGWWCGL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.03
Topological Polar Surface Area 67.87
Polarizability 21.15
Ring Count 2
Rotatable Bond Count 2

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95% <5 Days 1206979-28-3 $4,344.00$4,344.00
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