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methyl 1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylate hydrochloride

methyl 1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylate hydrochloride

CAS: 1609400-85-2

Formula: C8H12ClN3O2

SMILES: Cl.COC(=O)C1=NNC2=C1CNCC2

IUPAC: methyl 1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylate hydrochloride

InChI: InChI=1S/C8H11N3O2.ClH/c1-13-8(12)7-5-4-9-3-2-6(5)10-11-7;/h9H,2-4H2,1H3,(H,10,11);1H

Composition: C (44.15%), H (5.56%), Cl (16.29%), N (19.31%), O (14.70%)

Molar Mass: 217.65

Atom Count: 26

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 217.0618043
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey JGSOHUPJNRNHNY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.94
Topological Polar Surface Area 67.01
Polarizability 17.86
Ring Count 2
Rotatable Bond Count 2

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