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

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

CAS: 799270-07-8

Formula: C8H4BrN3

SMILES: BrC1=CN=C2NC=C(C#N)C2=C1

IUPAC: 5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

InChI: InChI=1S/C8H4BrN3/c9-6-1-7-5(2-10)3-11-8(7)12-4-6/h1,3-4H,(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	WDUMYOXRHLWOIR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.28
Topological Polar Surface Area	52.47
Polarizability	18.63
Ring Count	2
Rotatable Bond Count	0

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