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methyl 6-amino-1H-pyrrolo[2,3-b]pyridine-4-carboxylate

methyl 6-amino-1H-pyrrolo[2,3-b]pyridine-4-carboxylate

CAS: 1190315-60-6

Formula: C9H9N3O2

SMILES: COC(=O)C1=C2C=CNC2=NC(N)=C1

IUPAC: methyl 6-amino-1H-pyrrolo[2,3-b]pyridine-4-carboxylate

InChI: InChI=1S/C9H9N3O2/c1-14-9(13)6-4-7(10)12-8-5(6)2-3-11-8/h2-4H,1H3,(H3,10,11,12)

Composition: C (56.54%), H (4.75%), N (21.98%), O (16.74%)

Molar Mass: 191.19

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 191.069476542
Formal Charge 0
FSP3 0.11
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey MPVUUZFHLQEVBE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.98
Topological Polar Surface Area 81
Polarizability 19.55
Ring Count 2
Rotatable Bond Count 2

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