4-bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile

4-bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile

CAS: 1190310-18-9

Formula: C8H4BrN3

SMILES: BrC1=C2C=CNC2=NC(=C1)C#N

IUPAC: 4-bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile

InChI: InChI=1S/C8H4BrN3/c9-7-3-5(4-10)12-8-6(7)1-2-11-8/h1-3H,(H,11,12)

Composition: C (43.27%), H (1.82%), Br (35.99%), N (18.92%)

Molar Mass: 222.045

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	220.95886
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	POSUQASDDUSUMV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.91
Topological Polar Surface Area	52.47
Polarizability	18.63
Ring Count	2
Rotatable Bond Count	0

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