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

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

CAS: 952800-39-4

Formula: C9H8N2O2

SMILES: COC(=O)C1=CNC2=CC=CN=C12

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

InChI: InChI=1S/C9H8N2O2/c1-13-9(12)6-5-11-7-3-2-4-10-8(6)7/h2-5,11H,1H3

Composition: C (61.36%), H (4.58%), N (15.90%), O (18.16%)

Molar Mass: 176.175

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 176.058577506
Formal Charge 0
FSP3 0.11
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey LFOJQCBWPFHMJU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.64
Topological Polar Surface Area 54.98
Polarizability 19.08
Ring Count 2
Rotatable Bond Count 2

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