6-chloro-3-nitro-1H-pyrrolo[2,3-b]pyridine

6-chloro-3-nitro-1H-pyrrolo[2,3-b]pyridine

CAS: 1190309-92-2

Formula: C7H4ClN3O2

SMILES: [O-][N+](=O)C1=CNC2=NC(Cl)=CC=C12

IUPAC: 6-chloro-3-nitro-1H-pyrrolo[2,3-b]pyridine

InChI: InChI=1S/C7H4ClN3O2/c8-6-2-1-4-5(11(12)13)3-9-7(4)10-6/h1-3H,(H,9,10)

Composition: C (42.55%), H (2.04%), Cl (17.94%), N (21.27%), O (16.20%)

Molar Mass: 197.58

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	196.9992041
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LHSQYXDNGXWWTK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.13
Topological Polar Surface Area	71.82
Polarizability	17.88
Ring Count	2
Rotatable Bond Count	1

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