3-iodo-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile

3-iodo-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile

CAS: 1190310-26-9

Formula: C8H4IN3

SMILES: IC1=CNC2=CN=CC(C#N)=C12

IUPAC: 3-iodo-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile

InChI: InChI=1S/C8H4IN3/c9-6-3-12-7-4-11-2-5(1-10)8(6)7/h2-4,12H

Composition: C (35.71%), H (1.50%), I (47.17%), N (15.62%)

Molar Mass: 269.045

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	268.94499
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	YMHXXAVRKLUESI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.07
Topological Polar Surface Area	52.47
Polarizability	21.59
Ring Count	2
Rotatable Bond Count	0

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