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

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

CAS: 1000340-76-0

Formula: C8H4ClN3

SMILES: ClC1=CC(C#N)=C2C=CNC2=N1

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

InChI: InChI=1S/C8H4ClN3/c9-7-3-5(4-10)6-1-2-11-8(6)12-7/h1-3H,(H,11,12)

Composition: C (54.11%), H (2.27%), Cl (19.96%), N (23.66%)

Molar Mass: 177.59

Atom Count: 16

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 177.0093748
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ZWWATZWPHOVBID-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.53
Topological Polar Surface Area 52.47
Polarizability 17.75
Ring Count 2
Rotatable Bond Count 0

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