3-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine

3-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine

CAS: 1288998-66-2

Formula: C8H7N3O2

SMILES: CC1=CNC2=NC=C(C=C12)[N+]([O-])=O

IUPAC: 3-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine

InChI: InChI=1S/C8H7N3O2/c1-5-3-9-8-7(5)2-6(4-10-8)11(12)13/h2-4H,1H3,(H,9,10)

Composition: C (54.24%), H (3.98%), N (23.72%), O (18.06%)

Molar Mass: 177.163

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	177.053826477
Formal Charge	0
FSP3	0.12
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	IWQDJDICMFEZLB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.3
Topological Polar Surface Area	71.82
Polarizability	17.63
Ring Count	2
Rotatable Bond Count	1

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