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

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

CAS: 1353101-49-1

Formula: C9H8N2O2

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

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

InChI: InChI=1S/C9H8N2O2/c1-13-9(12)7-5-11-8-2-3-10-4-6(7)8/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 LAACYBDGZPXTJM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.01
Topological Polar Surface Area 54.98
Polarizability 19.07
Ring Count 2
Rotatable Bond Count 2

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