methyl 1H-pyrrolo[2,3-c]pyridine-5-carboxylate

methyl 1H-pyrrolo[2,3-c]pyridine-5-carboxylate

CAS: 147071-00-9

Formula: C9H8N2O2

SMILES: COC(=O)C1=NC=C2NC=CC2=C1

IUPAC: methyl 1H-pyrrolo[2,3-c]pyridine-5-carboxylate

InChI: InChI=1S/C9H8N2O2/c1-13-9(12)7-4-6-2-3-10-8(6)5-11-7/h2-5,10H,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	JKZKPRSBRUHIER-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.64
Topological Polar Surface Area	54.98
Polarizability	19.07
Ring Count	2
Rotatable Bond Count	2

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