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

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

CAS: 394223-19-9

Formula: C9H8N2O2

SMILES: COC(=O)C1=CC2=NC=CC=C2N1

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

InChI: InChI=1S/C9H8N2O2/c1-13-9(12)8-5-7-6(11-8)3-2-4-10-7/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	BXBHZLHTTHMUTG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.52
Topological Polar Surface Area	54.98
Polarizability	19.08
Ring Count	2
Rotatable Bond Count	2

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